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David Arthur Mazziotti - Publications

Affiliations: 
Chemistry University of Chicago, Chicago, IL 
Area:
theoretical chemistry
Website:
http://chemistry.uchicago.edu/faculty/faculty/person/member/david-a-mazziotti.html

194 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Gibney D, Boyn JN, Mazziotti DA. Universal Generalization of Density Functional Theory for Static Correlation. Physical Review Letters. 131: 243003. PMID 38181140 DOI: 10.1103/PhysRevLett.131.243003  0.362
2023 Mazziotti DA. Quantum Many-Body Theory from a Solution of the N-Representability Problem. Physical Review Letters. 130: 153001. PMID 37115895 DOI: 10.1103/PhysRevLett.130.153001  0.364
2022 Gibney D, Boyn JN, Mazziotti DA. Comparison of Density-Matrix Corrections to Density Functional Theory. Journal of Chemical Theory and Computation. 18: 6600-6607. PMID 36287002 DOI: 10.1021/acs.jctc.2c00625  0.373
2022 Sager-Smith LM, Mazziotti DA. Reducing the Quantum Many-Electron Problem to Two Electrons with Machine Learning. Journal of the American Chemical Society. PMID 36194786 DOI: 10.1021/jacs.2c07112  0.325
2022 Boyn JN, Mazziotti DA. Elucidating the molecular orbital dependence of the total electronic energy in multireference problems. The Journal of Chemical Physics. 156: 194104. PMID 35597644 DOI: 10.1063/5.0090342  0.43
2022 Gibney D, Boyn JN, Mazziotti DA. Density Functional Theory Transformed into a One-Electron Reduced-Density-Matrix Functional Theory for the Capture of Static Correlation. The Journal of Physical Chemistry Letters. 13: 1382-1388. PMID 35113577 DOI: 10.1021/acs.jpclett.2c00083  0.391
2021 Boyn JN, Lykhin AO, Smart SE, Gagliardi L, Mazziotti DA. Quantum-classical hybrid algorithm for the simulation of all-electron correlation. The Journal of Chemical Physics. 155: 244106. PMID 34972365 DOI: 10.1063/5.0074842  0.342
2021 Schouten AO, Sager LM, Mazziotti DA. Exciton Condensation in Molecular-Scale van der Waals Stacks. The Journal of Physical Chemistry Letters. 9906-9911. PMID 34612652 DOI: 10.1021/acs.jpclett.1c02368  0.311
2021 Ewing S, Mazziotti DA. Correlation-driven phenomena in periodic molecular systems from variational two-electron reduced density matrix theory. The Journal of Chemical Physics. 154: 214106. PMID 34240980 DOI: 10.1063/5.0050277  0.373
2021 Sajjan M, Hemmatiyan S, Mazziotti DA. Conductance Switching in an Organometallic Single-Electron Transistor Using Current-Constrained Reduced-Density Matrix Theory. The Journal of Physical Chemistry. A. PMID 34105977 DOI: 10.1021/acs.jpca.1c02267  0.811
2021 Boyn JN, Mazziotti DA. Accurate singlet-triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 154: 134103. PMID 33832273 DOI: 10.1063/5.0045007  0.412
2020 Gibney D, Boyn JN, Mazziotti DA. Toward a Resolution of the Static Correlation Problem in Density Functional Theory from Semidefinite Programming. The Journal of Physical Chemistry Letters. 385-391. PMID 33356286 DOI: 10.1021/acs.jpclett.0c03371  0.358
2020 Montgomery JM, Alexander E, Mazziotti DA. Prediction of the Existence of LiCH: A Carbene-like Organometallic Molecule. The Journal of Physical Chemistry. A. PMID 33170698 DOI: 10.1021/acs.jpca.0c07134  0.32
2020 Raeber AE, Mazziotti DA. Non-equilibrium steady state conductivity in cyclo[18]carbon and its boron nitride analogue. Physical Chemistry Chemical Physics : Pccp. PMID 33074272 DOI: 10.1039/d0cp04172f  0.317
2020 Head-Marsden K, Mazziotti DA. Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong Correlation. The Journal of Physical Chemistry. A. PMID 32469523 DOI: 10.1021/Acs.Jpca.0C01937  0.458
2020 Boyn JN, Xie J, Anderson JS, Mazziotti DA. Entangled Electrons Drive a Non-superexchange Mechanism in a Cobalt Quinoid Dimer Complex. The Journal of Physical Chemistry Letters. 4584-4590. PMID 32468819 DOI: 10.1021/Acs.Jpclett.0C01248  0.437
2020 Smart SE, Mazziotti DA. Efficient two-electron ansatz for benchmarking quantum chemistry on a quantum computer Physical Review Research. 2. DOI: 10.1103/Physrevresearch.2.023048  0.396
2020 Sager LM, Safaei S, Mazziotti DA. Potential coexistence of exciton and fermion-pair condensations Physical Review B. 101. DOI: 10.1103/Physrevb.101.081107  0.382
2019 Werba O, Raeber A, Head-Marsden K, Mazziotti DA. Signature of van der Waals interactions in the cumulant density matrix. Physical Chemistry Chemical Physics : Pccp. PMID 31650996 DOI: 10.1039/C9Cp03361K  0.435
2019 Head-Marsden K, Mazziotti DA. Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matrices. The Journal of Chemical Physics. 151: 034111. PMID 31325953 DOI: 10.1063/1.5100143  0.427
2019 Raeber AE, Mazziotti DA. Current-constrained one-electron reduced density-matrix theory for non-equilibrium steady-state molecular conductivity. Physical Chemistry Chemical Physics : Pccp. PMID 31155627 DOI: 10.1039/C9Cp01678C  0.465
2019 Boyn JN, Mazziotti DA. Sparse non-orthogonal wave function expansions from the extension of the generalized Pauli constraints to the two-electron reduced density matrix. The Journal of Chemical Physics. 150: 144102. PMID 30981248 DOI: 10.1063/1.5085056  0.495
2019 Smart SE, Mazziotti DA. Quantum-classical hybrid algorithm using an error-mitigating N -representability condition to compute the Mott metal-insulator transition Physical Review A. 100. DOI: 10.1103/Physreva.100.022517  0.438
2019 Smart SE, Schuster DI, Mazziotti DA. Experimental data from a quantum computer verifies the generalized Pauli exclusion principle Communications Physics. 2. DOI: 10.1038/S42005-019-0110-3  0.358
2019 Hemmatiyan S, Mazziotti DA. Unraveling the Band Gap Trend in the Narrowest Graphene Nanoribbons from the Spin-Adapted Excited-Spectra Reduced Density Matrix Method The Journal of Physical Chemistry C. 123: 14619-14624. DOI: 10.1021/Acs.Jpcc.9B01627  0.341
2018 Schlimgen AW, Mazziotti DA. Analytical gradients of variational reduced-density-matrix and wavefunction-based methods from an overlap-reweighted semidefinite program. The Journal of Chemical Physics. 149: 164111. PMID 30384740 DOI: 10.1063/1.5043104  0.451
2018 Hemmatiyan S, Sajjan M, Schlimgen AW, Mazziotti DA. Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach. The Journal of Physical Chemistry Letters. 5373-5378. PMID 30183311 DOI: 10.1021/Acs.Jpclett.8B02455  0.814
2018 Smart SE, Scrape PG, Butler LJ, Mazziotti DA. Using reduced density matrix techniques to capture static and dynamic correlation in the energy landscape for the decomposition of the CHCHONO radical and support a non-IRC pathway. The Journal of Chemical Physics. 149: 024302. PMID 30007389 DOI: 10.1063/1.5024512  0.472
2018 Montgomery JM, Mazziotti DA. Strong Electron Correlation in Nitrogenase Cofactor, FeMoco. The Journal of Physical Chemistry. A. PMID 29771514 DOI: 10.1021/Acs.Jpca.8B00941  0.405
2018 Chakraborty R, Mazziotti DA. Sparsity of the wavefunction from the generalized Pauli exclusion principle. The Journal of Chemical Physics. 148: 054106. PMID 29421880 DOI: 10.1063/1.5010985  0.692
2018 Safaei S, Mazziotti DA. Quantum signature of exciton condensation Physical Review B. 98. DOI: 10.1103/Physrevb.98.045122  0.449
2018 Sajjan M, Head-Marsden K, Mazziotti DA. Entangling and disentangling many-electron quantum systems with an electric field Physical Review A. 97. DOI: 10.1103/Physreva.97.062502  0.77
2018 Forgy CC, Schlimgen AW, Mazziotti DA. Effects of nitrogenous substituent groups on the benzene dication Molecular Physics. 116: 1364-1368. DOI: 10.1080/00268976.2018.1430386  0.365
2018 Sajjan M, Mazziotti DA. Current-constrained density-matrix theory to calculate molecular conductivity with increased accuracy Communications Chemistry. 1. DOI: 10.1038/s42004-018-0030-2  0.777
2017 Schlimgen AW, Mazziotti DA. Static and Dynamic Electron Correlation in the Ligand Noninnocent Oxidation of Nickel Dithiolates. The Journal of Physical Chemistry. A. PMID 29155587 DOI: 10.1021/Acs.Jpca.7B09567  0.441
2017 Hoy EP, Mazziotti DA, Seideman T. Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions. The Journal of Chemical Physics. 147: 184110. PMID 29141419 DOI: 10.1063/1.4986804  0.484
2017 Head-Marsden K, Mazziotti DA. Pair 2-electron reduced density matrix theory using localized orbitals. The Journal of Chemical Physics. 147: 084101. PMID 28863513 DOI: 10.1063/1.4999423  0.534
2017 Valentine AJ, Talapin DV, Mazziotti DA. Orbitals, Occupation Numbers, and Band Structure of Short One-Dimensional Cadmium Telluride Polymers. The Journal of Physical Chemistry. A. PMID 28406638 DOI: 10.1021/Acs.Jpca.7B00858  0.371
2017 McIsaac AR, Mazziotti DA. Ligand non-innocence and strong correlation in manganese superoxide dismutase mimics. Physical Chemistry Chemical Physics : Pccp. PMID 28124686 DOI: 10.1039/C6Cp07563K  0.421
2017 Chakraborty R, Mazziotti DA. Noise-assisted energy transfer from the dilation of the set of one-electron reduced density matrices The Journal of Chemical Physics. 146: 184101. DOI: 10.1063/1.4982927  0.611
2017 Valentine AJ, Mazziotti DA. Analytical nuclear derivatives for the parametric two-electron reduced density matrix method Chemical Physics Letters. 685: 300-304. DOI: 10.1016/J.Cplett.2017.07.064  0.513
2016 Mazziotti DA. Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory. Physical Review Letters. 117: 153001. PMID 27768343 DOI: 10.1103/Physrevlett.117.153001  0.524
2016 Heaps CW, Mazziotti DA. Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces. The Journal of Chemical Physics. 144: 164108. PMID 27131532 DOI: 10.1063/1.4946807  0.469
2016 Schlimgen AW, Heaps CW, Mazziotti DA. Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo Complex. The Journal of Physical Chemistry Letters. 627-631. PMID 26824140 DOI: 10.1021/Acs.Jpclett.5B02547  0.449
2016 Mazziotti DA. Pure-N-representability conditions of two-fermion reduced density matrices Physical Review A. 94. DOI: 10.1103/Physreva.94.032516  0.362
2016 Heaps CW, Mazziotti DA. Accurate non-adiabatic quantum dynamics from pseudospectral sampling of time-dependent Gaussian basis sets The Journal of Chemical Physics. 145: 064101. DOI: 10.1063/1.4959872  0.428
2016 Chakraborty R, Mazziotti DA. Role of the generalized pauli constraints in the quantum chemistry of excited states International Journal of Quantum Chemistry. 116: 784-790. DOI: 10.1002/Qua.25120  0.628
2015 Sand AM, Mazziotti DA. Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systems. The Journal of Chemical Physics. 143: 134110. PMID 26450295 DOI: 10.1063/1.4931471  0.515
2015 Hoy EP, Mazziotti DA. Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure. The Journal of Chemical Physics. 143: 064103. PMID 26277123 DOI: 10.1063/1.4928064  0.476
2015 McManus AL, Hoy EP, Mazziotti DA. Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals. Physical Chemistry Chemical Physics : Pccp. 17: 12521-9. PMID 25899890 DOI: 10.1039/C5Cp01310K  0.514
2015 Head-Marsden K, Mazziotti DA. Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices. The Journal of Chemical Physics. 142: 051102. PMID 25662627 DOI: 10.1063/1.4906942  0.471
2015 Raeber A, Mazziotti DA. Large eigenvalue of the cumulant part of the two-electron reduced density matrix as a measure of off-diagonal long-range order Physical Review a - Atomic, Molecular, and Optical Physics. 92. DOI: 10.1103/Physreva.92.052502  0.435
2015 Veeraraghavan S, Mazziotti DA. Semidefinite programming formulation of linear-scaling electronic structure theories Physical Review a - Atomic, Molecular, and Optical Physics. 92. DOI: 10.1103/Physreva.92.022512  0.344
2015 Chakraborty R, Mazziotti DA. Sufficient condition for the openness of a many-electron quantum system from the violation of a generalized Pauli exclusion principle Physical Review A. 91. DOI: 10.1103/Physreva.91.010101  0.579
2015 Sturm EJ, Mazziotti DA. Highly accurate excited-state energies from direct computation of the 2-electron reduced density matrix by the anti-Hermitian contracted Schrödinger equation Molecular Physics. DOI: 10.1080/00268976.2015.1074739  0.555
2015 Rubin NC, Mazziotti DA. Strong Electron Correlation in Materials from Pair-Interacting Model Hamiltonians Journal of Physical Chemistry C. 119: 14706-14713. DOI: 10.1021/Jp5130266  0.812
2015 Chakraborty R, Mazziotti DA. Structure of the one-electron reduced density matrix from the generalized Pauli exclusion principle International Journal of Quantum Chemistry. 115: 1305-1310. DOI: 10.1002/Qua.24934  0.631
2014 Forgy CC, Mazziotti DA. Relations between environmental noise and electronic coupling for optimal exciton transfer in one- and two-dimensional homogeneous and inhomogeneous quantum systems. The Journal of Chemical Physics. 141: 224111. PMID 25494736 DOI: 10.1063/1.4902883  0.339
2014 Bertels LW, Mazziotti DA. Accurate prediction of diradical chemistry from a single-reference density-matrix method: Model application to the bicyclobutane to gauche-1,3-butadiene isomerization. The Journal of Chemical Physics. 141: 044305. PMID 25084908 DOI: 10.1063/1.4890117  0.532
2014 Sand AM, Liu C, Valentine AJ, Mazziotti DA. Modulating the electronic structure of chromophores by chemical substituents for efficient energy transfer: application to fluorone. The Journal of Physical Chemistry. A. 118: 6085-91. PMID 25062094 DOI: 10.1021/Jp503900M  0.487
2014 Veeraraghavan S, Mazziotti DA. Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems. The Journal of Chemical Physics. 140: 124106. PMID 24697423 DOI: 10.1063/1.4868242  0.463
2014 Gidofalvi G, Mazziotti DA. Molecule-optimized basis sets and Hamiltonians for accelerated electronic structure calculations of atoms and molecules. The Journal of Physical Chemistry. A. 118: 495-502. PMID 24387056 DOI: 10.1021/Jp410191Y  0.767
2014 Chakraborty R, Mazziotti DA. Generalized Pauli conditions on the spectra of one-electron reduced density matrices of atoms and molecules Physical Review a - Atomic, Molecular, and Optical Physics. 89. DOI: 10.1103/Physreva.89.042505  0.647
2014 Veeraraghavan S, Mazziotti DA. Global solutions of Hartree-Fock theory and their consequences for strongly correlated quantum systems Physical Review a - Atomic, Molecular, and Optical Physics. 89. DOI: 10.1103/Physreva.89.010502  0.44
2014 Rubin NC, Mazziotti DA. Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method Theoretical Chemistry Accounts. 133: 1-9. DOI: 10.1007/S00214-014-1492-7  0.822
2013 Shenvi N, van Aggelen H, Yang Y, Yang W, Schwerdtfeger C, Mazziotti D. The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling. The Journal of Chemical Physics. 139: 054110. PMID 23927246 DOI: 10.1063/1.4817184  0.783
2013 Hoy EP, Shenvi N, Mazziotti DA. Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computations. The Journal of Chemical Physics. 139: 034105. PMID 23883008 DOI: 10.1063/1.4813495  0.551
2013 Foley JJ, Mazziotti DA. Cage versus prism: electronic energies of the water hexamer. The Journal of Physical Chemistry. A. 117: 6712-6. PMID 23841757 DOI: 10.1021/Jp405739D  0.706
2013 Sand AM, Mazziotti DA. Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix method. The Journal of Chemical Physics. 138: 244102. PMID 23822222 DOI: 10.1063/1.4811202  0.554
2013 Valentine AJ, Mazziotti DA. Theoretical prediction of the structures and energies of olympicene and its isomers. The Journal of Physical Chemistry. A. 117: 9746-52. PMID 23510393 DOI: 10.1021/Jp312384B  0.523
2013 Hoy EP, Schwerdtfeger CA, Mazziotti DA. Relative energies and geometries of the cis- and trans-HO3 radicals from the parametric 2-electron density matrix method. The Journal of Physical Chemistry. A. 117: 1817-25. PMID 23418646 DOI: 10.1021/Jp3105562  0.829
2013 Skolnik JT, Mazziotti DA. Cumulant reduced density matrices as measures of statistical dependence and entanglement between electronic quantum domains with application to photosynthetic light harvesting Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/Physreva.88.032517  0.386
2013 Sand AM, Mazziotti DA. Parametric two-electron reduced-density-matrix method with application to diradical rectangular H4 Computational and Theoretical Chemistry. 1003: 44-49. DOI: 10.1016/J.Comptc.2012.09.033  0.535
2012 Schwerdtfeger CA, Mazziotti DA. Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculations. The Journal of Chemical Physics. 137: 244103. PMID 23277924 DOI: 10.1063/1.4770278  0.847
2012 Mazziotti DA. Structure of fermionic density matrices: complete N-representability conditions. Physical Review Letters. 108: 263002. PMID 23004973 DOI: 10.1103/Physrevlett.108.263002  0.423
2012 Mazziotti DA. Effect of strong electron correlation on the efficiency of photosynthetic light harvesting. The Journal of Chemical Physics. 137: 074117. PMID 22920113 DOI: 10.1063/1.4746244  0.438
2012 Schwerdtfeger CA, Mazziotti DA. Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix method. The Journal of Chemical Physics. 137: 034107. PMID 22830683 DOI: 10.1063/1.4731810  0.835
2012 Roca-Sanjuán D, Lundberg M, Mazziotti DA, Lindh R. Comment on "Density functional theory study of 1,2-dioxetanone decomposition in condensed phase". Journal of Computational Chemistry. 33: 2124-6; author reply. PMID 22696241 DOI: 10.1002/Jcc.23040  0.414
2012 Sand AM, Schwerdtfeger CA, Mazziotti DA. Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazene. The Journal of Chemical Physics. 136: 034112. PMID 22280749 DOI: 10.1063/1.3675683  0.841
2012 Snyder JW, Mazziotti DA. Photoexcited tautomerization of vinyl alcohol to acetylaldehyde via a conical intersection from contracted Schrödinger theory. Physical Chemistry Chemical Physics : Pccp. 14: 1660-7. PMID 22194059 DOI: 10.1039/C2Cp23065H  0.487
2012 Mazziotti DA. Two-electron reduced density matrix as the basic variable in many-electron quantum chemistry and physics. Chemical Reviews. 112: 244-62. PMID 21863900 DOI: 10.1021/Cr2000493  0.451
2012 Foley JJ, Mazziotti DA. Measurement-driven reconstruction of many-particle quantum processes by semidefinite programming with application to photosynthetic light harvesting Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/Physreva.86.012512  0.558
2012 Mazziotti DA. Significant conditions for the two-electron reduced density matrix from the constructive solution of N representability Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/Physreva.85.062507  0.38
2012 Pabst S, Greenman L, Mazziotti DA, Santra R. Impact of multichannel and multipole effects on the Cooper minimum in the high-order-harmonic spectrum of argon Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/Physreva.85.023411  0.686
2012 Friedrich B, Kais S, Mazziotti D. Scaling mount impossible: A festschrift for Dudley Herschbach Molecular Physics. 110: 1537. DOI: 10.1080/00268976.2012.695049  0.499
2012 Deprince AE, Mazziotti DA. Connection of an elementary class of parametric two-electron reduced-density-matrix methods to the coupled electron-pair approximations Molecular Physics. 110: 1917-1925. DOI: 10.1080/00268976.2012.695027  0.741
2012 Hoy EP, Schwerdtfeger CA, Mazziotti DA. Isoelectronic analogue of oxywater: A parametric two-electron reduced-density-matrix study of ammonia oxide Molecular Physics. 110: 765-773. DOI: 10.1080/00268976.2012.668226  0.834
2011 Snyder JW, Mazziotti DA. Conical intersection of the ground and first excited states of water: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation. The Journal of Physical Chemistry. A. 115: 14120-6. PMID 22077386 DOI: 10.1021/Jp208013M  0.497
2011 Schwerdtfeger CA, Mazziotti DA. Populations of carbonic acid isomers at 210 K from a fast two-electron reduced-density matrix theory. The Journal of Physical Chemistry. A. 115: 12011-6. PMID 21978172 DOI: 10.1021/Jp2057805  0.795
2011 Snyder JW, Mazziotti DA. Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 135: 024107. PMID 21766925 DOI: 10.1063/1.3606466  0.526
2011 Pelzer K, Greenman L, Gidofalvi G, Mazziotti DA. Strong correlation in acene sheets from the active-space variational two-electron reduced density matrix method: effects of symmetry and size. The Journal of Physical Chemistry. A. 115: 5632-40. PMID 21563790 DOI: 10.1021/Jp2017192  0.839
2011 Greenman L, Mazziotti DA. Balancing single- and multi-reference correlation in the chemiluminescent reaction of dioxetanone using the anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 134: 174110. PMID 21548676 DOI: 10.1063/1.3585691  0.734
2011 Schwerdtfeger CA, DePrince AE, Mazziotti DA. Testing the parametric two-electron reduced-density-matrix method with improved functionals: application to the conversion of hydrogen peroxide to oxywater. The Journal of Chemical Physics. 134: 174102. PMID 21548668 DOI: 10.1063/1.3585568  0.836
2011 Mazziotti DA. Large-scale semidefinite programming for many-electron quantum mechanics. Physical Review Letters. 106: 083001. PMID 21405567 DOI: 10.1103/Physrevlett.106.083001  0.459
2011 Pabst S, Greenman L, Ho PJ, Mazziotti DA, Santra R. Decoherence in attosecond photoionization. Physical Review Letters. 106: 053003. PMID 21405393 DOI: 10.1103/Physrevlett.106.053003  0.68
2011 Foley JJ, Rothman AE, Mazziotti DA. Strongly correlated mechanisms of a photoexcited radical reaction from the anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 134: 034111. PMID 21261334 DOI: 10.1063/1.3526298  0.69
2011 Naftchi-Ardebili K, Hau NW, Mazziotti DA. Rank restriction for the variational calculation of two-electron reduced density matrices of many-electron atoms and molecules Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/Physreva.84.052506  0.537
2011 Skochdopole N, Mazziotti DA. Functional subsystems and quantum redundancy in photosynthetic light harvesting Journal of Physical Chemistry Letters. 2: 2989-2993. DOI: 10.1021/Jz201154T  0.338
2010 Greenman L, Mazziotti DA. Strong electron correlation in the decomposition reaction of dioxetanone with implications for firefly bioluminescence. The Journal of Chemical Physics. 133: 164110. PMID 21033778 DOI: 10.1063/1.3501250  0.733
2010 DePrince AE, Mazziotti DA. Isomerization of nitrosomethane to formaldoxime: energies, geometries, and frequencies from the parametric variational two-electron reduced-density-matrix method. The Journal of Chemical Physics. 133: 034112. PMID 20649313 DOI: 10.1063/1.3458641  0.774
2010 Sinitskiy AV, Greenman L, Mazziotti DA. Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method. The Journal of Chemical Physics. 133: 014104. PMID 20614956 DOI: 10.1063/1.3459059  0.733
2010 Snyder JW, Rothman AE, Foley JJ, Mazziotti DA. Conical intersections in triplet excited states of methylene from the anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 132: 154109. PMID 20423170 DOI: 10.1063/1.3394020  0.696
2010 Rothman AE, Mazziotti DA. Nonequilibrium, steady-state electron transport with N-representable density matrices from the anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 132: 104112. PMID 20232952 DOI: 10.1063/1.3320817  0.511
2010 DePrince AE, Mazziotti DA. Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method. The Journal of Chemical Physics. 132: 034110. PMID 20095731 DOI: 10.1063/1.3283052  0.774
2010 Greenman L, Mazziotti DA. Energy barriers of vinylidene carbene reactions from the anti-hermitian contracted Schrödinger equation. The Journal of Physical Chemistry. A. 114: 583-8. PMID 20055521 DOI: 10.1021/Jp907890D  0.713
2010 Greenman L, Ho PJ, Pabst S, Kamarchik E, Mazziotti DA, Santra R. Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.023406  0.824
2010 Mazziotti DA. Parametrization of the two-electron reduced density matrix for its direct calculation without the many-electron wave function: Generalizations and applications Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.062515  0.581
2010 Foley IV JJ, Mazziotti DA. Efficient geometry optimization by Hellmann-Feynman forces with the anti-Hermitian contracted Schrödinger equation Molecular Physics. 108: 2543-2550. DOI: 10.1080/00268976.2010.512569  0.491
2009 Schwerdtfeger CA, Mazziotti DA. Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theory. The Journal of Chemical Physics. 130: 224102. PMID 19530757 DOI: 10.1063/1.3143403  0.798
2009 Foley JJ, Rothman AE, Mazziotti DA. Activation energies of sigmatropic shifts in propene and acetone enolate from the anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 130: 184112. PMID 19449913 DOI: 10.1063/1.3129922  0.703
2009 Greenman L, Mazziotti DA. Highly multireferenced arynes studied with large active spaces using two-electron reduced density matrices. The Journal of Chemical Physics. 130: 184101. PMID 19449902 DOI: 10.1063/1.3127402  0.693
2009 DePrince AE, Mazziotti DA. Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix method. The Journal of Chemical Physics. 130: 164109. PMID 19405563 DOI: 10.1063/1.3116789  0.794
2009 Rothman AE, Foley JJ, Mazziotti DA. Open-shell energies and two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation: A spin-coupled approach Physical Review A. 80. DOI: 10.1103/Physreva.80.052508  0.683
2009 Gidofalvi G, Mazziotti DA. Direct calculation of excited-state electronic energies and two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation Physical Review a - Atomic, Molecular, and Optical Physics. 80. DOI: 10.1103/Physreva.80.022507  0.786
2009 Kamarchik E, Mazziotti DA. Coupled nuclear and electronic ground-state motion from variational reduced-density-matrix theory with applications to molecules with floppy or resonant hydrogens Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/Physreva.79.012502  0.806
2008 DePrince AE, Mazziotti DA. Molecular geometries and harmonic frequencies from the parametric two-electron reduced density matrix method with application to the HCN < = > HNC isomerization. The Journal of Physical Chemistry. B. 112: 16158-62. PMID 19367796 DOI: 10.1021/Jp805752F  0.76
2008 Mazziotti DA. Parametrization of the two-electron reduced density matrix for its direct calculation without the many-electron wave function. Physical Review Letters. 101: 253002. PMID 19113703 DOI: 10.1103/Physrevlett.101.253002  0.563
2008 Mazziotti DA. Energy barriers in the conversion of bicyclobutane to gauche-1,3-butadiene from the anti-hermitian contracted Schrödinger equation. The Journal of Physical Chemistry. A. 112: 13684-90. PMID 19053572 DOI: 10.1021/Jp807978A  0.545
2008 Gidofalvi G, Mazziotti DA. Active-space two-electron reduced-density-matrix method: complete active-space calculations without diagonalization of the N-electron Hamiltonian. The Journal of Chemical Physics. 129: 134108. PMID 19045079 DOI: 10.1063/1.2983652  0.763
2008 DePrince AE, Kamarchik E, Mazziotti DA. Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries. The Journal of Chemical Physics. 128: 234103. PMID 18570487 DOI: 10.1063/1.2937454  0.851
2008 Greenman L, Mazziotti DA. Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix. The Journal of Chemical Physics. 128: 114109. PMID 18361556 DOI: 10.1063/1.2890961  0.709
2008 Rothman AE, Mazziotti DA. Variational reduced-density-matrix theory applied to the electronic structure of few-electron quantum dots Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/Physreva.78.032510  0.578
2008 Rothman AE, Mazziotti DA. Geminal-based statistics for the energies of many-electron molecular systems Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/Physreva.77.012507  0.433
2008 DePrince AE, Mazziotti DA. Molecular geometries and harmonic frequencies from the parametric two-electron reduced density matrix method with application to the HCN # HNC isomerization Journal of Physical Chemistry B. 112: 16158-16162. DOI: 10.1021/jp805752f  0.712
2007 Kamarchik E, Mazziotti DA. Global energy minima of molecular clusters computed in polynomial time with semidefinite programming. Physical Review Letters. 99: 243002. PMID 18233446 DOI: 10.1103/Physrevlett.99.243002  0.764
2007 Gidofalvi G, Mazziotti DA. Multireference self-consistent-field energies without the many-electron wave function through a variational low-rank two-electron reduced-density-matrix method. The Journal of Chemical Physics. 127: 244105. PMID 18163668 DOI: 10.1063/1.2817602  0.816
2007 Mazziotti DA. Determining the energy gap between the cis and trans isomers of HO3- using geometry optimization within the anti-Hermitian contracted Schrödinger and coupled cluster methods. The Journal of Physical Chemistry. A. 111: 12635-40. PMID 17997537 DOI: 10.1021/Jp076097U  0.446
2007 DePrince AE, Mazziotti DA. Cumulant reconstruction of the three-electron reduced density matrix in the anti-Hermitian contracted Schrödinger equation. The Journal of Chemical Physics. 127: 104104. PMID 17867734 DOI: 10.1063/1.2768354  0.737
2007 Shakman KB, Mazziotti DA. Assessing the efficacy of nonsteroidal anti-inflammatory drugs through the quantum computation of molecular ionization energies. The Journal of Physical Chemistry. A. 111: 7223-6. PMID 17608461 DOI: 10.1021/Jp0725331  0.428
2007 Mazziotti DA. Two-electron reduced density matrices from the anti-Hermitian contracted Schrodinger equation: enhanced energies and properties with larger basis sets. The Journal of Chemical Physics. 126: 184101. PMID 17508786 DOI: 10.1063/1.2723115  0.536
2007 Gidofalvi G, Mazziotti DA. Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditions. The Journal of Chemical Physics. 126: 024105. PMID 17228941 DOI: 10.1063/1.2423008  0.814
2007 Mazziotti DA. Multireference many-electron correlation energies from two-electron reduced density matrices computed by solving the anti-Hermitian contracted Schrödinger equation Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.052502  0.561
2007 DePrince AE, Mazziotti DA. Publisher's Note: Parametric approach to variational two-electron reduced-density-matrix theory [Phys. Rev. A76, 042501 (2007)] Physical Review A. 76. DOI: 10.1103/Physreva.76.049903  0.4
2007 Deprince AE, Mazziotti DA. Parametric approach to variational two-electron reduced-density-matrix theory Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.042501  0.789
2007 Mazziotti DA. Anti-Hermitian part of the contracted Schrödinger equation for the direct calculation of two-electron reduced density matrices Physical Review a - Atomic, Molecular, and Optical Physics. 75. DOI: 10.1103/Physreva.75.022505  0.462
2007 Kamarchik E, Mazziotti DA. Variational reduced-density-matrix method for ground-state nuclear motion Physical Review a - Atomic, Molecular, and Optical Physics. 75. DOI: 10.1103/Physreva.75.013203  0.756
2007 Mazziotti DA. First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules Mathematical Modelling and Numerical Analysis. 41: 249-259. DOI: 10.1051/M2An:2007021  0.509
2007 Juhász T, Shenvi N, Mazziotti DA. Recursively generated linear constraints for variational two-particle reduced-density-matrix theory Chemical Physics Letters. 445: 79-83. DOI: 10.1016/J.Cplett.2007.07.067  0.67
2007 Mazziotti DA. Chapter 3: Variational two-electron reduced-density-matrix theory Advances in Chemical Physics. 134: 21-59.  0.343
2006 Mazziotti DA. Anti-hermitian contracted schrödinger equation: direct determination of the two-electron reduced density matrices of many-electron molecules. Physical Review Letters. 97: 143002. PMID 17155245 DOI: 10.1103/Physrevlett.97.143002  0.512
2006 Juhász T, Mazziotti DA. The cumulant two-particle reduced density matrix as a measure of electron correlation and entanglement. The Journal of Chemical Physics. 125: 174105. PMID 17100427 DOI: 10.1063/1.2378768  0.647
2006 Gidofalvi G, Mazziotti DA. Computation of dipole, quadrupole, and octupole surfaces from the variational two-electron reduced density matrix method. The Journal of Chemical Physics. 125: 144102. PMID 17042574 DOI: 10.1063/1.2355490  0.789
2006 Farnum JD, Gidofalvi G, Mazziotti DA. Modeling the influence of a laser pulse on the potential energy surface in optimal molecular control theory. The Journal of Chemical Physics. 124: 234103. PMID 16821903 DOI: 10.1063/1.2206585  0.809
2006 Gidofalvi G, Mazziotti DA. Variational reduced-density-matrix theory applied to the potential energy surfaces of carbon monoxide in the presence of electric fields. The Journal of Physical Chemistry. A. 110: 5481-6. PMID 16623479 DOI: 10.1021/Jp056392J  0.795
2006 Mazziotti DA. Quantum chemistry without wave functions: two-electron reduced density matrices. Accounts of Chemical Research. 39: 207-15. PMID 16548509 DOI: 10.1021/Ar050029D  0.535
2006 Mazziotti DA. Variational reduced-density-matrix method using three-particle N -representability conditions with application to many-electron molecules Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.032501  0.51
2006 Gidofalvi G, Mazziotti DA. Computation of quantum phase transitions by reduced-density-matrix mechanics Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.012501  0.759
2006 Hammond JR, Mazziotti DA. Variational reduced-density-matrix calculations on radicals: An alternative approach to open-shell ab initio quantum chemistry Physical Review a - Atomic, Molecular, and Optical Physics. 73. DOI: 10.1103/Physreva.73.012509  0.521
2006 Hammond JR, Mazziotti DA. Variational reduced-density-matrix calculation of the one-dimensional Hubbard model Physical Review a - Atomic, Molecular, and Optical Physics. 73. DOI: 10.1103/Physreva.73.0  0.314
2005 Rohrman BA, Mazziotti DA. Quantum chemical design of hydroxyurea derivatives for the treatment of sickle-cell anemia. The Journal of Physical Chemistry. B. 109: 13392-6. PMID 16852672 DOI: 10.1021/Jp0505429  0.452
2005 Gidofalvi G, Mazziotti DA. Application of variational reduced-density-matrix theory to the potential energy surfaces of the nitrogen and carbon dimers. The Journal of Chemical Physics. 122: 194104. PMID 16161560 DOI: 10.1063/1.1901565  0.801
2005 Juhász T, Mazziotti DA. Improved perturbative treatment of electronic energies from a minimal-norm approach to many-body perturbation theory. The Journal of Chemical Physics. 122: 124101. PMID 15836363 DOI: 10.1063/1.1862232  0.657
2005 Gidofalvi G, Mazziotti DA. Application of variational reduced-density-matrix theory to organic molecules. The Journal of Chemical Physics. 122: 094107. PMID 15836112 DOI: 10.1063/1.1855885  0.775
2005 Jordan DK, Mazziotti DA. Comparison of two genres for linear scaling in density functional theory: purification and density matrix minimization methods. The Journal of Chemical Physics. 122: 84114. PMID 15836027 DOI: 10.1063/1.1853378  0.783
2005 Gidofalvi G, Mazziotti DA. Spin and symmetry adaptation of the variational two-electron reduced-density-matrix method Physical Review a - Atomic, Molecular, and Optical Physics. 72. DOI: 10.1103/Physreva.72.052505  0.784
2005 Mazziotti DA. Variational two-electron reduced density matrix theory for many-electron atoms and molecules: Implementation of the spin- and symmetry-adapted T2 condition through first-order semidefinite programming Physical Review a - Atomic, Molecular, and Optical Physics. 72. DOI: 10.1103/Physreva.72.032510  0.526
2005 Hammond JR, Mazziotti DA. Variational two-electron reduced-density-matrix theory: Partial 3-positivity conditions for N-representability Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/Physreva.71.062503  0.523
2005 Farnum JD, Mazziotti DA. Trigonometric mapping for the electric field strength in molecular optimal control theory Chemical Physics Letters. 416: 142-146. DOI: 10.1016/J.Cplett.2005.09.062  0.699
2004 Mazziotti DA. First-order semidefinite programming for the direct determination of two-electron reduced density matrices with application to many-electron atoms and molecules. The Journal of Chemical Physics. 121: 10957-66. PMID 15634045 DOI: 10.1063/1.1810134  0.482
2004 Mazziotti DA. Realization of quantum chemistry without wave functions through first-order semidefinite programming. Physical Review Letters. 93: 213001. PMID 15601004 DOI: 10.1103/Physrevlett.93.213001  0.51
2004 Jordan DK, Mazziotti DA. Spectral differences in real-space electronic structure calculations. The Journal of Chemical Physics. 120: 574-8. PMID 15267891 DOI: 10.1063/1.1631916  0.771
2004 Farnum JD, Mazziotti DA. Spectral difference Lanczos method for efficient time propagation in quantum control theory. The Journal of Chemical Physics. 120: 5962-7. PMID 15267477 DOI: 10.1063/1.1665930  0.709
2004 Juhasz T, Mazziotti DA. Perturbation theory corrections to the two-particle reduced density matrix variational method. The Journal of Chemical Physics. 121: 1201-5. PMID 15260661 DOI: 10.1063/1.1760748  0.719
2004 Gidofalvi G, Mazziotti DA. Boson correlation energies via variational minimization with the two-particle reduced density matrix: Exact N-representability conditions for harmonic interactions Physical Review a - Atomic, Molecular, and Optical Physics. 69: 042511-1. DOI: 10.1103/Physreva.69.042511  0.761
2004 Mazziotti DA. Exactness of wave functions from two-body exponential transformations in many-body quantum theory Physical Review a - Atomic, Molecular, and Optical Physics. 69: 125071-1250711. DOI: 10.1103/Physreva.69.012507  0.332
2004 Farnum JD, Mazziotti DA. Extraction of ionization energies from the ground-state two-particle reduced density matrix Chemical Physics Letters. 400: 90-93. DOI: 10.1016/J.Cplett.2004.10.075  0.765
2004 Gidofalvi G, Mazziotti DA. Variational reduced-density-matrix theory: Strength of Hamiltonian-dependent positivity conditions Chemical Physics Letters. 398: 434-439. DOI: 10.1016/J.Cplett.2004.09.086  0.77
2004 Benayoun MD, Lu A, Mazziotti DA. Invariance of the cumulant expansion under 1-particle unitary transformations in reduced density matrix theory Chemical Physics Letters. 387: 485-489. DOI: 10.1016/J.Cplett.2004.02.036  0.362
2003 Mazziotti DA. Towards idempotent reduced density matrices via particle-hole duality: McWeeny's purification and beyond. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 066701. PMID 14754349 DOI: 10.1103/Physreve.68.066701  0.382
2003 Mazziotti DA. Extraction of electronic excited states from the ground-state two-particle reduced density matrix Physical Review a - Atomic, Molecular, and Optical Physics. 68: 525011-525019. DOI: 10.1103/Physreva.68.052501  0.456
2003 Yip F, Mazziotti D, Rabitz H. A propagation toolkit to design quantum controls The Journal of Chemical Physics. 118: 8168-8172. DOI: 10.1063/1.1564815  0.466
2003 Yip FL, Mazziotti DA, Rabitz H. A local-time algorithm for achieving quantum control Journal of Physical Chemistry A. 107: 7264-7268. DOI: 10.1021/Jp030313R  0.456
2002 Mazziotti DA. Purification of correlated reduced density matrices. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 026704. PMID 11863691 DOI: 10.1103/Physreve.65.026704  0.442
2002 Mazziotti DA. Solution of the 1,3-contracted Schrödinger equation through positivity conditions on the two-particle reduced density matrix Physical Review a - Atomic, Molecular, and Optical Physics. 66: 625031-6250312. DOI: 10.1103/Physreva.66.062503  0.496
2002 Mazziotti DA. Variational minimization of atomic and molecular ground-state energies via the two-particle reduced density matrix Physical Review a - Atomic, Molecular, and Optical Physics. 65: 625111-6251114. DOI: 10.1103/Physreva.65.062511  0.496
2002 Mazziotti DA. Spectral difference methods for solving the differential equations of chemical physics Journal of Chemical Physics. 117: 2455. DOI: 10.1063/1.1490344  0.328
2002 Mazziotti DA. Variational method for solving the contracted Schrödinger equation through a projection of the N-particle power method onto the two-particle space Journal of Chemical Physics. 116: 1239-1249. DOI: 10.1063/1.1430257  0.389
2001 Mazziotti DA, Erdahl RM. Uncertainty relations and reduced density matrices: Mapping many-body quantum mechanics onto four particles Physical Review a - Atomic, Molecular, and Optical Physics. 63: 1-9. DOI: 10.1103/Physreva.63.042113  0.423
2001 Mazziotti DA. Linear scaling and the 1,2-contracted schrödinger equation Journal of Chemical Physics. 115: 8305-8311. DOI: 10.1063/1.1412002  0.393
2001 Mazziotti DA. Comment on "high order finite difference algorithms for solving the schrödinger equation in molecular dynamics" [J. Chem. Phys. 111, 10827 (1999)] [1] Journal of Chemical Physics. 115: 6794-6795. DOI: 10.1063/1.1400783  0.347
2001 Mazziotti DA. Energy functional of the one-particle reduced density matrix: A geminal approach Chemical Physics Letters. 338: 323-328. DOI: 10.1016/S0009-2614(01)00251-2  0.482
2000 Mazziotti DA, Herschbach DR. Boson correlation energies and density matrices from reduced Hamiltonian interpolation Physical Review a - Atomic, Molecular, and Optical Physics. 62: 1-10. DOI: 10.1103/Physreva.62.043603  0.632
2000 Mazziotti DA. Geminal functional theory: A synthesis of density and density matrix methods Journal of Chemical Physics. 112: 10125-10130. DOI: 10.1063/1.481653  0.511
2000 Mazziotti DA, Rabitz HA. Determining quantum molecular potentials from spectroscopic energy levels using parametric equations of motion Journal of Physical Chemistry A. 104: 9770-9776. DOI: 10.1021/Jp001767G  0.543
2000 Mazziotti DA. Complete reconstruction of reduced density matrices Chemical Physics Letters. 326: 212-218. DOI: 10.1016/S0009-2614(00)00773-9  0.426
2000 Mazziotti DA, Herschbach DR. Boson correlation energies and density matrices from reduced Hamiltonian interpolation Physical Review a - Atomic, Molecular, and Optical Physics. 62: 1-10.  0.587
1999 Mazziotti DA, Herschbach DR. Boson Correlation Energies from Reduced Hamiltonian Interpolation Physical Review Letters. 83: 5185-5189. DOI: 10.1103/Physrevlett.83.5185  0.634
1999 Mazziotti DA. Pursuit of N-representability for the contracted Schrödinger equation through density-matrix reconstruction Physical Review a - Atomic, Molecular, and Optical Physics. 60: 3618-3626. DOI: 10.1103/Physreva.60.3618  0.397
1999 Mazziotti DA. Spectral difference methods for solving differential equations Chemical Physics Letters. 299: 473-480. DOI: 10.1016/S0009-2614(98)01324-4  0.391
1998 Mazziotti DA. Contracted Schrödinger equation: Determining quantum energies and two-particle density matrices without wave functions Physical Review a - Atomic, Molecular, and Optical Physics. 57: 4219-4234. DOI: 10.1103/Physreva.57.4219  0.399
1998 Mazziotti DA. Approximate solution for electron correlation through the use of Schwinger probes Chemical Physics Letters. 289: 419-427. DOI: 10.1016/S0009-2614(98)00470-9  0.416
1998 Mazziotti DA. 3,5-contracted schrödinger equation: Determining quantum energies and reduced density matrices without wave functions International Journal of Quantum Chemistry. 70: 557-570. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<557::Aid-Qua2>3.0.Co;2-U  0.403
1996 Mazziotti DA, Rabitz HA. Determining quantum bound-state eigenvalues and eigenvectors as functions of parameters in the Hamiltonian: An efficient evolutionary approach Molecular Physics. 89: 171-193. DOI: 10.1080/002689796174074  0.542
1995 Mazziotti DA, Mishra MK, Rabitz HA. Energy eigenvalues and eigenvectors for bound quantum systems using parametric equations of motion Journal of Physical Chemistry. 99: 112-117. DOI: 10.1021/J100001A020  0.517
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