Joseph E. Subotnik - Publications

Affiliations: 
Chemistry University of Pennsylvania, Philadelphia, PA, United States 
Area:
Physical and Theoretical Chemistry
Website:
http://www.sas.upenn.edu/~subotnik/Site/Home_Page.html

93 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
2019 Miao G, Subotnik JE. Revisiting the Recoherence Problem in the Fewest Switches Surface Hopping Algorithm. The Journal of Physical Chemistry. A. PMID 31180218 DOI: 10.1021/acs.jpca.9b03188  0.4
2019 Jin Z, Subotnik JE. A practical ansatz for evaluating the electronic friction tensor accurately, efficiently, and in a nearly black-box format. The Journal of Chemical Physics. 150: 164105. PMID 31042890 DOI: 10.1063/1.5085683  0.32
2019 Chen HT, Li TE, Nitzan A, Subotnik JE. Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited. The Journal of Physical Chemistry Letters. 1331-1336. PMID 30844289 DOI: 10.1021/acs.jpclett.9b00181  1
2019 Jain A, Petit AS, Anna JM, Subotnik JE. Simple and Efficient Theoretical Approach To Compute 2D Optical Spectra. The Journal of Physical Chemistry. B. PMID 30758206 DOI: 10.1021/acs.jpcb.8b08674  1
2019 Li TE, Chen HT, Subotnik JE. Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light-Matter Interactions: Understanding Energy Conservation. Journal of Chemical Theory and Computation. PMID 30753068 DOI: 10.1021/acs.jctc.8b01232  1
2019 Chen HT, Li TE, Sukharev M, Nitzan A, Subotnik JE. Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering. The Journal of Chemical Physics. 150: 044103. PMID 30709300 DOI: 10.1063/1.5057366  1
2019 Chen HT, Li TE, Sukharev M, Nitzan A, Subotnik JE. Ehrenfest+R dynamics. I. A mixed quantum-classical electrodynamics simulation of spontaneous emission. The Journal of Chemical Physics. 150: 044102. PMID 30709254 DOI: 10.1063/1.5057365  1
2019 Bellonzi N, Medders GR, Epifanovsky E, Subotnik JE. Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradients. The Journal of Chemical Physics. 150: 014106. PMID 30621414 DOI: 10.1063/1.5045484  0.8
2018 Li TE, Chen HT, Nitzan A, Sukharev M, Subotnik JE. A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb Interactions versus the Enforcement of Causality? The Journal of Physical Chemistry Letters. 5955-5961. PMID 30277405 DOI: 10.1021/acs.jpclett.8b02309  1
2018 Dou W, Subotnik JE. Perspective: How to understand electronic friction. The Journal of Chemical Physics. 148: 230901. PMID 29935525 DOI: 10.1063/1.5035412  0.84
2018 Dou W, Schinabeck C, Thoss M, Subotnik JE. A broadened classical master equation approach for treating electron-nuclear coupling in non-equilibrium transport. The Journal of Chemical Physics. 148: 102317. PMID 29544278 DOI: 10.1063/1.4992784  0.84
2017 Dou W, Miao G, Subotnik JE. Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions. Physical Review Letters. 119: 046001. PMID 29341745 DOI: 10.1103/PhysRevLett.119.046001  0.84
2017 Jain A, Subotnik JE. Vibrational Energy Relaxation: A Benchmark for Mixed Quantum-Classical Methods. The Journal of Physical Chemistry. A. PMID 29264924 DOI: 10.1021/acs.jpca.7b09018  1
2017 Ou Q, Subotnik JE. A Comparison between Bethe-Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D Hubbard Chains. Journal of Chemical Theory and Computation. PMID 29183113 DOI: 10.1021/acs.jctc.7b00246  0.8
2017 Liu T, Exarhos AL, Alguire EC, Gao F, Salami-Ranjbaran E, Cheng K, Jia T, Subotnik JE, Walsh PJ, Kikkawa JM, Fakhraai Z. Birefringent Stable Glass with Predominantly Isotropic Molecular Orientation. Physical Review Letters. 119: 095502. PMID 28949582 DOI: 10.1103/PhysRevLett.119.095502  0.96
2017 Jin Z, Subotnik JE. Localized diabatization applied to excitons in molecular crystals. The Journal of Chemical Physics. 146: 244110. PMID 28668066 DOI: 10.1063/1.4986952  0.32
2017 Ouyang W, Subotnik JE. The dynamics of charge transfer with and without a barrier: A very simplified model of cyclic voltammetry. The Journal of Chemical Physics. 146: 174103. PMID 28477614 DOI: 10.1063/1.4979620  0.56
2017 Dou W, Subotnik JE. A generalized surface hopping algorithm to model non-adiabatic dynamics near metal surfaces: The case of multiple electronic orbitals. Journal of Chemical Theory and Computation. PMID 28467702 DOI: 10.1021/acs.jctc.7b00094  0.84
2017 Medders GR, Alguire EC, Jain A, Subotnik JE. Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework. The Journal of Physical Chemistry. A. PMID 28098456 DOI: 10.1021/acs.jpca.6b12120  1
2016 Jain A, Alguire E, Subotnik JE. An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations. Journal of Chemical Theory and Computation. PMID 27715036 DOI: 10.1021/acs.jctc.6b00673  1
2016 Ouyang W, Dou W, Jain A, Subotnik JE. Dynamics of Barrier Crossings for the Generalized Anderson-Holstein Model: Beyond Electronic Friction and Conventional Surface Hopping. Journal of Chemical Theory and Computation. PMID 27564005 DOI: 10.1021/acs.jctc.6b00533  1
2016 Dou W, Subotnik JE. A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states. The Journal of Chemical Physics. 145: 054102. PMID 27497534 DOI: 10.1063/1.4959604  0.84
2016 Bellonzi N, Jain A, Subotnik JE. An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability. The Journal of Chemical Physics. 144: 154110. PMID 27389212 DOI: 10.1063/1.4946810  1
2016 Ou Q, Subotnik JE. Comparison between GW and Wave-Function-Based Approaches: Calculating the Ionization Potential and Electron Affinity for 1D Hubbard Chains. The Journal of Physical Chemistry. A. PMID 27336177 DOI: 10.1021/acs.jpca.6b03294  0.8
2016 Subotnik JE, Jain A, Landry B, Petit A, Ouyang W, Bellonzi N. Understanding the Surface Hopping View of Electronic Transitions and Decoherence. Annual Review of Physical Chemistry. 67: 387-417. PMID 27215818 DOI: 10.1146/annurev-physchem-040215-112245  1
2016 Dou W, Nitzan A, Subotnik JE. Molecular electronic states near metal surfaces at equilibrium using potential of mean force and numerical renormalization group methods: Hysteresis revisited. The Journal of Chemical Physics. 144: 074109. PMID 26896978 DOI: 10.1063/1.4941848  1
2016 Dou W, Subotnik JE. A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit. The Journal of Chemical Physics. 144: 024116. PMID 26772563 DOI: 10.1063/1.4939734  1
2015 Jain A, Subotnik JE. Does Nonadiabatic Transition State Theory Make Sense Without Decoherence? The Journal of Physical Chemistry Letters. 6: 4809-14. PMID 26631360 DOI: 10.1021/acs.jpclett.5b02148  1
2015 Petit AS, Subotnik JE. Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra. Journal of Chemical Theory and Computation. 11: 4328-4341. PMID 26575927 DOI: 10.1021/acs.jctc.5b00510  1
2015 Dou W, Nitzan A, Subotnik JE. Erratum: "Surface hopping with a manifold of electronic states. III. Transients, broadening and the Marcus picture" [J. Chem. Phys. 142, 234106 (2015)]. The Journal of Chemical Physics. 143: 189902. PMID 26567691 DOI: 10.1063/1.4935713  1
2015 Jain A, Subotnik JE. Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance. The Journal of Chemical Physics. 143: 134107. PMID 26450292 DOI: 10.1063/1.4930549  1
2015 Jain A, Herman MF, Ouyang W, Subotnik JE. Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility. The Journal of Chemical Physics. 143: 134106. PMID 26450291 DOI: 10.1063/1.4930548  1
2015 Dou W, Nitzan A, Subotnik JE. Frictional effects near a metal surface. The Journal of Chemical Physics. 143: 054103. PMID 26254638 DOI: 10.1063/1.4927237  1
2015 Dou W, Nitzan A, Subotnik JE. Surface hopping with a manifold of electronic states. III. Transients, broadening, and the Marcus picture. The Journal of Chemical Physics. 142: 234106. PMID 26093549 DOI: 10.1063/1.4922513  1
2015 Subotnik JE, Alguire EC, Ou Q, Landry BR, Fatehi S. The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: nonadiabatic derivative couplings and diabatic electronic couplings. Accounts of Chemical Research. 48: 1340-50. PMID 25932499 DOI: 10.1021/acs.accounts.5b00026  1
2015 Landry BR, Subotnik JE. Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical). The Journal of Chemical Physics. 142: 104102. PMID 25770523 DOI: 10.1063/1.4913494  1
2015 Dou W, Nitzan A, Subotnik JE. Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model. The Journal of Chemical Physics. 142: 084110. PMID 25725715 DOI: 10.1063/1.4908034  1
2015 Ouyang W, Dou W, Subotnik JE. Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes. The Journal of Chemical Physics. 142: 084109. PMID 25725714 DOI: 10.1063/1.4908032  1
2015 Ou Q, Bellchambers GD, Furche F, Subotnik JE. First-order derivative couplings between excited states from adiabatic TDDFT response theory. The Journal of Chemical Physics. 142: 064114. PMID 25681894 DOI: 10.1063/1.4906941  1
2015 Subotnik JE, Rhee YM. On surface hopping and time-reversal. The Journal of Physical Chemistry. A. 119: 990-5. PMID 25635926 DOI: 10.1021/jp512024w  1
2015 Alguire EC, Subotnik JE, Damrauer NH. Exploring non-Condon effects in a covalent tetracene dimer: how important are vibrations in determining the electronic coupling for singlet fission? The Journal of Physical Chemistry. A. 119: 299-311. PMID 25522781 DOI: 10.1021/jp510777c  1
2015 Veldkamp BS, Liu X, Wasielewski MR, Subotnik JE, Ratner MA. Molecular excited states: accurate calculation of relative energies and electronic coupling between charge transfer and non-charge transfer states. The Journal of Physical Chemistry. A. 119: 253-62. PMID 25336192 DOI: 10.1021/jp508337x  1
2015 Alguire EC, Ou Q, Subotnik JE. Calculating Derivative Couplings between Time-Dependent Hartree-Fock Excited States with Pseudo-Wavefunctions. The Journal of Physical Chemistry. B. 119: 7140-9. PMID 25148602 DOI: 10.1021/jp505767b  1
2015 Ou Q, Alguire EC, Subotnik JE. Derivative Couplings between Time-Dependent Density Functional Theory Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical Intersections. The Journal of Physical Chemistry. B. 119: 7150-61. PMID 25090155 DOI: 10.1021/jp5057682  1
2015 Ouyang W, Saven JG, Subotnik JE. A Surface Hopping View of Electrochemistry: Non-Equilibrium Electronic Transport through an Ionic Solution with a Classical Master Equation Journal of Physical Chemistry C. 119: 20833-20844. DOI: 10.1021/acs.jpcc.5b06655  1
2014 Landry BR, Subotnik JE. Quantifying the Lifetime of Triplet Energy Transfer Processes in Organic Chromophores: A Case Study of 4-(2-Naphthylmethyl)benzaldehyde. Journal of Chemical Theory and Computation. 10: 4253-63. PMID 26588123 DOI: 10.1021/ct500583d  0.92
2014 Liu X, Subotnik JE. Erratum: "The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States". Journal of Chemical Theory and Computation. 10: 1835. PMID 26580391 DOI: 10.1021/ct500190r  0.6
2014 Liu X, Subotnik JE. The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States. Journal of Chemical Theory and Computation. 10: 1004-20. PMID 26580179 DOI: 10.1021/ct4009377  0.6
2014 Petit AS, Subotnik JE. Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories. The Journal of Chemical Physics. 141: 154108. PMID 25338882 DOI: 10.1063/1.4897258  1
2014 Samanta K, Beames JM, Lester MI, Subotnik JE. Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O-O photodissociation channels. The Journal of Chemical Physics. 141: 134303. PMID 25296802 DOI: 10.1063/1.4894746  1
2014 Ou Q, Fatehi S, Alguire E, Shao Y, Subotnik JE. Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation. The Journal of Chemical Physics. 141: 024114. PMID 25028006 DOI: 10.1063/1.4887256  1
2014 Petit AS, Subotnik JE. How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: a simple generalization of ground-state Kubo theory. The Journal of Chemical Physics. 141: 014107. PMID 25005277 DOI: 10.1063/1.4884945  1
2014 Ouyang W, Subotnik JE. Estimating the entropy and quantifying the impurity of a swarm of surface-hopping trajectories: a new perspective on decoherence. The Journal of Chemical Physics. 140: 204102. PMID 24880261 DOI: 10.1063/1.4876491  1
2014 Falk MJ, Landry BR, Subotnik JE. Can surface hopping sans decoherence recover Marcus theory? Understanding the role of friction in a surface hopping view of electron transfer. The Journal of Physical Chemistry. B. 118: 8108-17. PMID 24745794 DOI: 10.1021/jp5011346  1
2014 Alguire EC, Fatehi S, Shao Y, Subotnik JE. Analysis of localized diabatic states beyond the condon approximation for excitation energy transfer processes. The Journal of Physical Chemistry. A. 118: 11891-900. PMID 24447246 DOI: 10.1021/jp411107k  1
2014 Landry BR, Subotnik JE. Quantifying the lifetime of triplet energy transfer processes in organic chromophores: A case study of 4-(2-Naphthylmethyl)benzaldehyde Journal of Chemical Theory and Computation. 10: 4253-4263. DOI: 10.1021/ct500583d  1
2014 Liu X, Subotnik JE. The variationally orbital-adapted configuration interaction singles (VOA-CIS) approach to electronically excited states Journal of Chemical Theory and Computation. 10: 1004-1020. DOI: 10.1021/ct4009377  1
2013 Subotnik JE, Ouyang W, Landry BR. Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence. The Journal of Chemical Physics. 139: 214107. PMID 24320364 DOI: 10.1063/1.4829856  1
2013 Landry BR, Falk MJ, Subotnik JE. Communication: The correct interpretation of surface hopping trajectories: how to calculate electronic properties. The Journal of Chemical Physics. 139: 211101. PMID 24320356 DOI: 10.1063/1.4837795  1
2013 Fatehi S, Alguire E, Subotnik JE. Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singles. The Journal of Chemical Physics. 139: 124112. PMID 24089755 DOI: 10.1063/1.4820485  1
2013 Liu X, Ou Q, Alguire E, Subotnik JE. Communication: an inexpensive, variational, almost black-box, almost size-consistent correction to configuration interaction singles for valence excited states. The Journal of Chemical Physics. 138: 221105. PMID 23781776 DOI: 10.1063/1.4809571  1
2013 Ou Q, Subotnik JE. Electronic relaxation in benzaldehyde evaluated via TD-DFT and localized diabatization: Intersystem crossings, conical intersections, and phosphorescence Journal of Physical Chemistry C. 117: 19839-19849. DOI: 10.1021/jp405574q  1
2012 Landry BR, Subotnik JE. How to recover Marcus theory with fewest switches surface hopping: add just a touch of decoherence. The Journal of Chemical Physics. 137: 22A513. PMID 23249050 DOI: 10.1063/1.4733675  1
2012 Alguire E, Subotnik JE. Optimal diabatic states based on solvation parameters. The Journal of Chemical Physics. 137: 194108. PMID 23181295 DOI: 10.1063/1.4766463  1
2012 Liu X, Fatehi S, Shao Y, Veldkamp BS, Subotnik JE. Communication: Adjusting charge transfer state energies for configuration interaction singles: without any parameterization and with minimal cost. The Journal of Chemical Physics. 136: 161101. PMID 22559462 DOI: 10.1063/1.4705757  1
2012 Fatehi S, Subotnik JE. Derivative couplings with built-in electron-translation factors: Application to benzene Journal of Physical Chemistry Letters. 3: 2039-2043. DOI: 10.1021/jz3006173  1
2011 Fatehi S, Alguire E, Shao Y, Subotnik JE. Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance. The Journal of Chemical Physics. 135: 234105. PMID 22191862 DOI: 10.1063/1.3665031  1
2011 Landry BR, Subotnik JE. Communication: Standard surface hopping predicts incorrect scaling for Marcus' golden-rule rate: the decoherence problem cannot be ignored. The Journal of Chemical Physics. 135: 191101. PMID 22112058 DOI: 10.1063/1.3663870  1
2011 Subotnik JE. Fewest-switches surface hopping and decoherence in multiple dimensions. The Journal of Physical Chemistry. A. 115: 12083-96. PMID 21995423 DOI: 10.1021/jp206557h  1
2011 Subotnik JE. Communication: configuration interaction singles has a large systematic bias against charge-transfer states. The Journal of Chemical Physics. 135: 071104. PMID 21861549 DOI: 10.1063/1.3627152  1
2011 Alguire E, Subotnik JE. Diabatic couplings for charge recombination via Boys localization and spin-flip configuration interaction singles. The Journal of Chemical Physics. 135: 044114. PMID 21806097 DOI: 10.1063/1.3615493  1
2011 Shenvi N, Subotnik JE, Yang W. Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction. The Journal of Chemical Physics. 135: 024101. PMID 21766919 DOI: 10.1063/1.3603447  1
2011 Subotnik JE, Shenvi N. Decoherence and surface hopping: when can averaging over initial conditions help capture the effects of wave packet separation? The Journal of Chemical Physics. 134: 244114. PMID 21721619 DOI: 10.1063/1.3603448  1
2011 Shenvi N, Subotnik JE, Yang W. Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics. The Journal of Chemical Physics. 134: 144102. PMID 21495737 DOI: 10.1063/1.3575588  1
2011 Subotnik JE, Shenvi N. A new approach to decoherence and momentum rescaling in the surface hopping algorithm. The Journal of Chemical Physics. 134: 024105. PMID 21241078 DOI: 10.1063/1.3506779  1
2010 Subotnik JE, Vura-Weis J, Sodt AJ, Ratner MA. Predicting accurate electronic excitation transfer rates via marcus theory with Boys or Edmiston-Ruedenberg localized diabatization. The Journal of Physical Chemistry. A. 114: 8665-75. PMID 20446743 DOI: 10.1021/jp101235a  1
2010 Subotnik JE. Augmented Ehrenfest dynamics yields a rate for surface hopping. The Journal of Chemical Physics. 132: 134112. PMID 20387926 DOI: 10.1063/1.3314248  1
2010 Herrmann C, Solomon GC, Subotnik JE, Mujica V, Ratner MA. Ghost transmission: How large basis sets can make electron transport calculations worse. The Journal of Chemical Physics. 132: 024103. PMID 20095659 DOI: 10.1063/1.3283062  1
2010 Vura-Weis J, Newton MD, Wasielewski MR, Subotnik JE. Characterizing the locality of diabatic states for electronic excitation transfer by decomposing the diabatic coupling Journal of Physical Chemistry C. 114: 20449-20460. DOI: 10.1021/jp104783r  1
2009 Subotnik JE, Cave RJ, Steele RP, Shenvi N. The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactions. The Journal of Chemical Physics. 130: 234102. PMID 19548706 DOI: 10.1063/1.3148777  1
2009 Subotnik JE, Hansen T, Ratner MA, Nitzan A. Nonequilibrium steady state transport via the reduced density matrix operator. The Journal of Chemical Physics. 130: 144105. PMID 19368427 DOI: 10.1063/1.3109898  1
2008 Subotnik JE, Yeganeh S, Cave RJ, Ratner MA. Constructing diabatic states from adiabatic states: extending generalized Mulliken-Hush to multiple charge centers with boys localization. The Journal of Chemical Physics. 129: 244101. PMID 19123489 DOI: 10.1063/1.3042233  1
2008 Subotnik JE, Nitzan A. Multibody scattering, correlation, molecular conduction, and the 0.7 anomaly. The Journal of Chemical Physics. 129: 144107. PMID 19045134 DOI: 10.1063/1.2988495  1
2008 Subotnik JE, Sodt A, Head-Gordon M. The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfaces. The Journal of Chemical Physics. 128: 034103. PMID 18205484 DOI: 10.1063/1.2821124  1
2008 Subotnik JE, Head-Gordon M. Exploring the accuracy of relative molecular energies with local correlation theory Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/29/294211  1
2007 Subotnik JE, Sodt A, Head-Gordon M. Localized orbital theory and ammonia triborane. Physical Chemistry Chemical Physics : Pccp. 9: 5522-30. PMID 17957308 DOI: 10.1039/b709171k  1
2006 Sodt A, Subotnik JE, Head-Gordon M. Linear scaling density fitting. The Journal of Chemical Physics. 125: 194109. PMID 17129091 DOI: 10.1063/1.2370949  1
2006 Subotnik JE, Sodt A, Head-Gordon M. A near linear-scaling smooth local coupled cluster algorithm for electronic structure. The Journal of Chemical Physics. 125: 074116. PMID 16942331 DOI: 10.1063/1.2336426  1
2006 Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, ... ... Subotnik JE, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/b517914a  1
2005 Subotnik JE, Dutoi AD, Head-Gordon M. Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The Journal of Chemical Physics. 123: 114108. PMID 16392552 DOI: 10.1063/1.2033687  1
2005 Subotnik JE, Head-Gordon M. A local correlation model that yields intrinsically smooth potential-energy surfaces. The Journal of Chemical Physics. 123: 64108. PMID 16122301 DOI: 10.1063/1.2000252  1
2005 Subotnik JE, Head-Gordon M. A localized basis that allows fast and accurate second-order Moller-Plesset calculations. The Journal of Chemical Physics. 122: 34109. PMID 15740194 DOI: 10.1063/1.1834911  1
2004 Subotnik JE, Shao Y, Liang W, Head-Gordon M. An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitals. The Journal of Chemical Physics. 121: 9220-9. PMID 15538842 DOI: 10.1063/1.1790971  1
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