| Year |
Citation |
Score |
| 2020 |
Bradbury NC, Chuang C, Deshmukh AP, Rabani E, Baer R, Caram JR, Neuhauser D. Stochastically Realized Observables for Excitonic Molecular Aggregates. The Journal of Physical Chemistry. A. PMID 33251807 DOI: 10.1021/acs.jpca.0c07953 |
1 |
|
| 2020 |
Dou W, Chen M, Takeshita TY, Baer R, Neuhauser D, Rabani E. Range-separated stochastic resolution of identity: Formulation and application to second-order Green's function theory. The Journal of Chemical Physics. 153: 074113. PMID 32828086 DOI: 10.1063/5.0015177 |
1 |
|
| 2020 |
Arnon E, Rabani E, Neuhauser D, Baer R. Efficient Langevin dynamics for "noisy" forces. The Journal of Chemical Physics. 152: 161103. PMID 32357762 DOI: 10.1063/5.0004954 |
1 |
|
| 2020 |
Zhang X, Lu G, Baer R, Rabani E, Neuhauser D. Linear-response time-dependent density functional theory with stochastic range-separated hybrids. Journal of Chemical Theory and Computation. PMID 31899638 DOI: 10.1021/acs.jctc.9b01121 |
1 |
|
| 2019 |
Li W, Chen M, Rabani E, Baer R, Neuhauser D. Stochastic embedding DFT: Theory and application to p-nitroaniline in water. The Journal of Chemical Physics. 151: 174115. PMID 31703523 DOI: 10.1063/1.5110226 |
1 |
|
| 2019 |
Dou W, Takeshita TY, Chen M, Baer R, Neuhauser D, Rabani E. Stochastic Resolution of Identity for Real-Time Second-Order Green's Function: Ionization Potential and Quasi-particle Spectrum. Journal of Chemical Theory and Computation. PMID 31652067 DOI: 10.1021/acs.jctc.9b00918 |
1 |
|
| 2019 |
Chen M, Baer R, Neuhauser D, Rabani E. Energy window stochastic density functional theory. The Journal of Chemical Physics. 151: 114116. PMID 31542024 DOI: 10.1063/1.5114984 |
1 |
|
| 2019 |
Takeshita TY, Dou W, Smith DGA, de Jong WA, Baer R, Neuhauser D, Rabani E. Stochastic resolution of identity second-order Matsubara Green's function theory. The Journal of Chemical Physics. 151: 044114. PMID 31370516 DOI: 10.1063/1.5108840 |
1 |
|
| 2019 |
Vlček V, Baer R, Neuhauser D. Stochastic time-dependent DFT with optimally tuned range-separated hybrids: Application to excitonic effects in large phosphorene sheets. The Journal of Chemical Physics. 150: 184118. PMID 31091914 DOI: 10.1063/1.5093707 |
1 |
|
| 2019 |
Chen M, Baer R, Neuhauser D, Rabani E. Overlapped embedded fragment stochastic density functional theory for covalently-bonded materials. The Journal of Chemical Physics. 150: 034106. PMID 30660162 DOI: 10.1063/1.5064472 |
1 |
|
| 2018 |
Vlček V, Baer R, Rabani E, Neuhauser D. Simple eigenvalue-self-consistent . The Journal of Chemical Physics. 149: 174107. PMID 30409020 DOI: 10.1063/1.5042785 |
1 |
|
| 2017 |
Arnon E, Rabani E, Neuhauser D, Baer R. Equilibrium configurations of large nanostructures using the embedded saturated-fragments stochastic density functional theory. The Journal of Chemical Physics. 146: 224111. PMID 29166067 DOI: 10.1063/1.4984931 |
1 |
|
| 2017 |
Neuhauser D, Baer R, Zgid D. Stochastic self-consistent second-order Green's function method for correlation energies of large electronic systems. Journal of Chemical Theory and Computation. PMID 28961398 DOI: 10.1021/acs.jctc.7b00792 |
1 |
|
| 2017 |
Takeshita TY, de Jong WA, Neuhauser D, Baer R, Rabani E. Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory. Journal of Chemical Theory and Computation. PMID 28914534 DOI: 10.1021/acs.jctc.7b00343 |
1 |
|
| 2017 |
Vlcek V, Rabani E, Neuhauser D, Baer R. Stochastic GW calculations for molecules. Journal of Chemical Theory and Computation. PMID 28876912 DOI: 10.1021/acs.jctc.7b00770 |
1 |
|
| 2017 |
Luzon I, Jagtap K, Livshits E, Lioubashevski O, Baer R, Strasser D. Single-photon Coulomb explosion of methanol using broad bandwidth ultrafast EUV pulses. Physical Chemistry Chemical Physics : Pccp. 19: 13488-13495. PMID 28435961 DOI: 10.1039/c7cp00587c |
0.76 |
|
| 2016 |
Eshet H, Baer R, Neuhauser D, Rabani E. Theory of highly efficient multiexciton generation in type-II nanorods. Nature Communications. 7: 13178. PMID 27725668 DOI: 10.1038/ncomms13178 |
1 |
|
| 2016 |
Feng Q, Yamada A, Baer R, Dunietz BD. Deleterious Effects of Exact Exchange Functionals on Predictions of Molecular Conductance. Journal of Chemical Theory and Computation. PMID 27454778 DOI: 10.1021/acs.jctc.6b00493 |
1 |
|
| 2016 |
Vlček V, Eisenberg HR, Steinle-Neumann G, Neuhauser D, Rabani E, Baer R. Spontaneous Charge Carrier Localization in Extended One-Dimensional Systems. Physical Review Letters. 116: 186401. PMID 27203334 DOI: 10.1103/PhysRevLett.116.186401 |
1 |
|
| 2015 |
Neuhauser D, Rabani E, Cytter Y, Baer R. Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory. The Journal of Physical Chemistry. A. PMID 26651840 DOI: 10.1021/acs.jpca.5b10573 |
1 |
|
| 2015 |
Vlček V, Eisenberg HR, Steinle-Neumann G, Kronik L, Baer R. Deviations from piecewise linearity in the solid-state limit with approximate density functionals. The Journal of Chemical Physics. 142: 034107. PMID 25612689 DOI: 10.1063/1.4905236 |
1 |
|
| 2015 |
Gao Y, Neuhauser D, Baer R, Rabani E. Sublinear scaling for time-dependent stochastic density functional theory. The Journal of Chemical Physics. 142: 034106. PMID 25612688 DOI: 10.1063/1.4905568 |
1 |
|
| 2015 |
Rabani E, Baer R, Neuhauser D. Time-dependent stochastic Bethe-Salpeter approach Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.235302 |
1 |
|
| 2015 |
Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696 |
0.68 |
|
| 2014 |
Cytter Y, Neuhauser D, Baer R. Metropolis Evaluation of the Hartree-Fock Exchange Energy. Journal of Chemical Theory and Computation. 10: 4317-23. PMID 26588128 DOI: 10.1021/ct500450w |
1 |
|
| 2014 |
Eshet H, Baer R, Neuhauser D, Rabani E. Multiexciton Generation in Seeded Nanorods. The Journal of Physical Chemistry Letters. 5: 2580-5. PMID 26277946 DOI: 10.1021/jz5010279 |
1 |
|
| 2014 |
Ge Q, Gao Y, Baer R, Rabani E, Neuhauser D. A Guided Stochastic Energy-Domain Formulation of the Second Order Møller-Plesset Perturbation Theory. The Journal of Physical Chemistry Letters. 5: 185-9. PMID 26276200 DOI: 10.1021/jz402206m |
1 |
|
| 2014 |
Neuhauser D, Gao Y, Arntsen C, Karshenas C, Rabani E, Baer R. Breaking the theoretical scaling limit for predicting quasiparticle energies: the stochastic GW approach. Physical Review Letters. 113: 076402. PMID 25170715 DOI: 10.1103/PhysRevLett.113.076402 |
1 |
|
| 2014 |
Neuhauser D, Baer R, Rabani E. Communication: Embedded fragment stochastic density functional theory. The Journal of Chemical Physics. 141: 041102. PMID 25084868 DOI: 10.1063/1.4890651 |
1 |
|
| 2014 |
Egger DA, Weissman S, Refaely-Abramson S, Sharifzadeh S, Dauth M, Baer R, Kümmel S, Neaton JB, Zojer E, Kronik L. Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation. 10: 1934-1952. PMID 24839410 DOI: 10.1021/ct400956h |
1 |
|
| 2014 |
Baratz A, White AJ, Galperin M, Baer R. Effects of electromagnetic coupling on conductance switching of a gated tunnel junction Journal of Physical Chemistry Letters. 5: 3545-3550. DOI: 10.1021/jz501652y |
1 |
|
| 2013 |
Neuhauser D, Rabani E, Baer R. Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems. Journal of Chemical Theory and Computation. 9: 24-7. PMID 26589007 DOI: 10.1021/ct300946j |
1 |
|
| 2013 |
Zohar G, Baer R, Rabani E. Multiexciton Generation in IV-VI Nanocrystals: The Role of Carrier Effective Mass, Band Mixing, and Phonon Emission. The Journal of Physical Chemistry Letters. 4: 317-22. PMID 26283441 DOI: 10.1021/jz301892z |
0.64 |
|
| 2013 |
Neuhauser D, Rabani E, Baer R. Expeditious Stochastic Calculation of Random-Phase Approximation Energies for Thousands of Electrons in Three Dimensions. The Journal of Physical Chemistry Letters. 4: 1172-6. PMID 26282038 DOI: 10.1021/jz3021606 |
1 |
|
| 2013 |
Baer R, Neuhauser D, Rabani E. Self-averaging stochastic Kohn-Sham density-functional theory. Physical Review Letters. 111: 106402. PMID 25166686 DOI: 10.1103/PhysRevLett.111.106402 |
1 |
|
| 2013 |
Baer R, Rabani E. Communication: biexciton generation rates in CdSe nanorods are length independent. The Journal of Chemical Physics. 138: 051102. PMID 23406091 DOI: 10.1063/1.4790600 |
0.64 |
|
| 2013 |
Refaely-Abramson S, Sharifzadeh S, Jain M, Baer R, Neaton JB, Kronik L. Gap renormalization of molecular crystals from density-functional theory Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.081204 |
1 |
|
| 2013 |
Baratz A, Galperin M, Baer R. Gate-induced intramolecular charge transfer in a tunnel junction: A nonequilibrium analysis Journal of Physical Chemistry C. 117: 10257-10263. DOI: 10.1021/jp312776c |
1 |
|
| 2012 |
Kronik L, Stein T, Refaely-Abramson S, Baer R. Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. 8: 1515-31. PMID 26593646 DOI: 10.1021/ct2009363 |
0.68 |
|
| 2012 |
Stein T, Autschbach J, Govind N, Kronik L, Baer R. Curvature and Frontier Orbital Energies in Density Functional Theory. The Journal of Physical Chemistry Letters. 3: 3740-4. PMID 26291104 DOI: 10.1021/jz3015937 |
1 |
|
| 2012 |
Refaely-Abramson S, Sharifzadeh S, Govind N, Autschbach J, Neaton JB, Baer R, Kronik L. Quasiparticle spectra from a nonempirical optimally tuned range-separated hybrid density functional. Physical Review Letters. 109: 226405. PMID 23368141 DOI: 10.1103/PhysRevLett.109.226405 |
1 |
|
| 2012 |
Baer R, Neuhauser D. Communication: Monte Carlo calculation of the exchange energy. The Journal of Chemical Physics. 137: 051103. PMID 22894325 DOI: 10.1063/1.4743959 |
1 |
|
| 2012 |
Jain PK, Ghosh D, Baer R, Rabani E, Alivisatos AP. Near-field manipulation of spectroscopic selection rules on the nanoscale. Proceedings of the National Academy of Sciences of the United States of America. 109: 8016-9. PMID 22566662 DOI: 10.1073/pnas.1121319109 |
1 |
|
| 2012 |
Baer R, Rabani E. Expeditious stochastic calculation of multiexciton generation rates in semiconductor nanocrystals. Nano Letters. 12: 2123-8. PMID 22443374 DOI: 10.1021/nl300452c |
0.64 |
|
| 2012 |
Ansbacher T, Srivastava HK, Stein T, Baer R, Merkx M, Shurki A. Calculation of transition dipole moment in fluorescent proteins--towards efficient energy transfer. Physical Chemistry Chemical Physics : Pccp. 14: 4109-17. PMID 22331099 DOI: 10.1039/c2cp23351g |
0.68 |
|
| 2011 |
Kuritz N, Stein T, Baer R, Kronik L. Charge-Transfer-Like π→π* Excitations in Time-Dependent Density Functional Theory: A Conundrum and Its Solution. Journal of Chemical Theory and Computation. 7: 2408-15. PMID 26606616 DOI: 10.1021/ct2002804 |
0.68 |
|
| 2011 |
Livshits E, Granot RS, Baer R. A density functional theory for studying ionization processes in water clusters Journal of Physical Chemistry A. 115: 5735-5744. PMID 20925402 DOI: 10.1021/jp1057572 |
1 |
|
| 2010 |
Stein T, Eisenberg H, Kronik L, Baer R. Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method. Physical Review Letters. 105: 266802. PMID 21231698 DOI: 10.1103/PhysRevLett.105.266802 |
0.68 |
|
| 2010 |
Baer R, Rabani E. Can impact excitation explain efficient carrier multiplication in carbon nanotube photodiodes? Nano Letters. 10: 3277-82. PMID 20681526 DOI: 10.1021/nl100639h |
0.64 |
|
| 2010 |
Baer R, Livshits E, Salzner U. Tuned range-separated hybrids in density functional theory. Annual Review of Physical Chemistry. 61: 85-109. PMID 20055678 DOI: 10.1146/annurev.physchem.012809.103321 |
0.76 |
|
| 2009 |
Andzelm J, Rinderspacher BC, Rawlett A, Dougherty J, Baer R, Govind N. Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores. Journal of Chemical Theory and Computation. 5: 2835-46. PMID 26631795 DOI: 10.1021/ct900231r |
0.32 |
|
| 2009 |
Stein T, Kronik L, Baer R. Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles. The Journal of Chemical Physics. 131: 244119. PMID 20059066 DOI: 10.1063/1.3269029 |
0.68 |
|
| 2009 |
Paul AK, Adhikari S, Mukhopadhyay D, Halász GJ, Vibók A, Baer R, Baer M. Photodissociation of H2(+) upon exposure to an intense pulsed photonic Fock state. The Journal of Physical Chemistry. A. 113: 7331-7. PMID 19552475 DOI: 10.1021/jp811269g |
0.68 |
|
| 2009 |
Livshits E, Baer R, Kosloff R. Deleterious effects of long-range self-repulsion on the density functional description of O2 sticking on aluminum. The Journal of Physical Chemistry. A. 113: 7521-7. PMID 19413354 DOI: 10.1021/jp900892r |
1 |
|
| 2009 |
Stein T, Kronik L, Baer R. Reliable prediction of charge transfer excitations in molecular complexes using time-dependent density functional theory. Journal of the American Chemical Society. 131: 2818-20. PMID 19239266 DOI: 10.1021/ja8087482 |
0.68 |
|
| 2008 |
Hod O, Baer R, Rabani E. Magnetoresistance of nanoscale molecular devices based on Aharonov-Bohm interferometry. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 20: 383201. PMID 21693808 DOI: 10.1088/0953-8984/20/38/383201 |
0.64 |
|
| 2008 |
Rabani E, Baer R. Distribution of multiexciton generation rates in CdSe and InAs nanocrystals. Nano Letters. 8: 4488-92. PMID 19367885 DOI: 10.1021/nl802443c |
0.64 |
|
| 2008 |
Granot R, Baer R. A tight-binding potential for helium in carbon systems Journal of Chemical Physics. 129. PMID 19063539 DOI: 10.1063/1.3025241 |
1 |
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| 2008 |
Livshits E, Baer R. A density functional theory for symmetric radical cations from bonding to dissociation. The Journal of Physical Chemistry. A. 112: 12789-91. PMID 18834098 DOI: 10.1021/jp803606n |
0.76 |
|
| 2008 |
Baer R, Rabani E. Theory of resonance energy transfer involving nanocrystals: the role of high multipoles. The Journal of Chemical Physics. 128: 184710. PMID 18532839 DOI: 10.1063/1.2913247 |
0.64 |
|
| 2008 |
Andzelm J, Rawlett A, Dougherty J, Govind N, Baer R. Performance of DFT methods in the calculation of optical spectra of chromophores 2008 Proceedings of the Department of Defense High Performance Computing Modernization Program: Users Group Conference - Solving the Hard Problems. 235-240. DOI: 10.1109/DoD.HPCMP.UGC.2008.80 |
1 |
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| 2008 |
Granot R, Baer R. A spline for your saddle Journal of Chemical Physics. 128. DOI: 10.1063/1.2916716 |
1 |
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| 2007 |
Lopata K, Neuhauser D, Baer R. Curve crossing and negative refraction in simulations of near-field coupled metallic nanoparticle arrays. The Journal of Chemical Physics. 127: 154714. PMID 17949198 DOI: 10.1063/1.2796162 |
1 |
|
| 2007 |
Livshits E, Baer R. A well-tempered density functional theory of electrons in molecules. Physical Chemistry Chemical Physics : Pccp. 9: 2932-41. PMID 17551616 DOI: 10.1039/b617919c |
0.76 |
|
| 2007 |
Baer R, Lopata K, Neuhauser D. Properties of phase-coherent energy shuttling on the nanoscale. The Journal of Chemical Physics. 126: 014705. PMID 17212509 DOI: 10.1063/1.2390697 |
1 |
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| 2007 |
Jorn R, Livshits E, Baer R, Seideman T. The role of charge localization in current-driven dynamics Israel Journal of Chemistry. 47: 99-104. DOI: 10.1560/IJC.47.1.99 |
1 |
|
| 2006 |
Hod O, Baer R, Rabani E. Inelastic effects in Aharonov-Bohm molecular interferometers. Physical Review Letters. 97: 266803. PMID 17280449 DOI: 10.1103/PhysRevLett.97.266803 |
0.64 |
|
| 2006 |
Baer R, Neuhauser D. Theoretical studies of molecular scale near-field electron dynamics. The Journal of Chemical Physics. 125: 074709. PMID 16942366 DOI: 10.1063/1.2335841 |
1 |
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| 2006 |
Livshits E, Baer R. Time-dependent density-functional studies of the D2 coulomb explosion. The Journal of Physical Chemistry. A. 110: 8443-50. PMID 16821827 DOI: 10.1021/jp0600460 |
0.76 |
|
| 2006 |
Hod O, Rabani E, Baer R. Magnetoresistance of nanoscale molecular devices. Accounts of Chemical Research. 39: 109-17. PMID 16489730 DOI: 10.1021/ar0401909 |
0.64 |
|
| 2006 |
Baer R, Livshits E, Neuhauser D. Avoiding self-repulsion in density functional description of biased molecular junctions Chemical Physics. 329: 266-275. DOI: 10.1016/j.chemphys.2006.06.041 |
1 |
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| 2005 |
Neuhauser D, Baer R. Efficient linear-response method circumventing the exchange-correlation kernel: theory for molecular conductance under finite bias. The Journal of Chemical Physics. 123: 204105. PMID 16351238 DOI: 10.1063/1.2121607 |
1 |
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| 2005 |
Hod O, Rabani E, Baer R. Magnetoresistance devices based on single-walled carbon nanotubes. The Journal of Chemical Physics. 123: 051103. PMID 16108619 DOI: 10.1063/1.1993551 |
0.64 |
|
| 2005 |
Baer R, Neuhauser D. Density functional theory with correct long-range asymptotic behavior. Physical Review Letters. 94: 043002. PMID 15783554 DOI: 10.1103/PhysRevLett.94.043002 |
1 |
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| 2005 |
Hod O, Baer R, Rabani E. A parallel electromagnetic molecular logic gate. Journal of the American Chemical Society. 127: 1648-9. PMID 15700993 DOI: 10.1021/ja043366a |
0.64 |
|
| 2004 |
Ryb I, Baer R. Combinatorial invariants and covariants as tools for conical intersections. The Journal of Chemical Physics. 121: 10370-5. PMID 15549915 DOI: 10.1063/1.1808695 |
1 |
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| 2004 |
Baer R, Neuhauser D. Real-time linear response for time-dependent density-functional theory. The Journal of Chemical Physics. 121: 9803-7. PMID 15549853 DOI: 10.1063/1.1808412 |
1 |
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| 2004 |
Kurzweil Y, Baer R. Time-dependent exchange-correlation current density functionals with memory. The Journal of Chemical Physics. 121: 8731-41. PMID 15527336 DOI: 10.1063/1.1802793 |
0.36 |
|
| 2004 |
Baer R, Seideman T, Ilani S, Neuhauser D. Ab initio study of the alternating current impedance of a molecular junction. The Journal of Chemical Physics. 120: 3387-96. PMID 15268494 DOI: 10.1063/1.1640611 |
1 |
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| 2004 |
Hawthorne MF, Zink JI, Skelton JM, Bayer MJ, Liu C, Livshits E, Baer R, Neuhauser D. Electrical or photocontrol of the rotary motion of a metallacarborane. Science (New York, N.Y.). 303: 1849-51. PMID 15031500 DOI: 10.1126/science.1093846 |
1 |
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| 2004 |
Baer R, Neuhauser D, Weiss S. Enhanced Absorption Induced by a Metallic Nanoshell Nano Letters. 4: 85-88. DOI: 10.1021/nl034902k |
1 |
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| 2004 |
Liang W, Baer R, Saravanan C, Shao Y, Bell AT, Head-Gordon M. Fast methods for resumming matrix polynomials and Chebyshev matrix polynomials Journal of Computational Physics. 194: 575-587. DOI: 10.1016/j.jcp.2003.08.027 |
1 |
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| 2004 |
Band YB, Kallush S, Baer R. Rotational aspects of short-pulse population transfer in diatomic molecules Chemical Physics Letters. 392: 23-27. DOI: 10.1016/j.cplett.2004.05.044 |
1 |
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| 2003 |
Liu C, Walter D, Neuhauser D, Baer R. Molecular recognition and conductance in crown ethers. Journal of the American Chemical Society. 125: 13936-7. PMID 14611211 DOI: 10.1021/ja029085p |
1 |
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| 2003 |
Saravanan C, Shao Y, Baer R, Ross PN, Head-Gordon M. Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks. Journal of Computational Chemistry. 24: 618-22. PMID 12632476 DOI: 10.1002/jcc.10224 |
1 |
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| 2003 |
Liang WZ, Saravanan C, Shao Y, Baer R, Bell AT, Head-Gordon M. Improved Fermi operator expansion methods for fast electronic structure calculations Journal of Chemical Physics. 119: 4117-4125. DOI: 10.1063/1.1590632 |
1 |
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| 2003 |
Anderson SM, Neuhauser D, Baer R. Trajectory-dependent cellularized frozen Gaussians, a new approach for semiclassical dynamics: Theory and application to He-naphtalene eigenvalues Journal of Chemical Physics. 118: 9103-9108. DOI: 10.1063/1.1568071 |
1 |
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| 2003 |
Neuhauser D, Baer R, Kosloff R. Quantum soliton dynamics in vibrational chains: Comparison of fully correlated, mean field, and classical dynamics Journal of Chemical Physics. 118: 5729-5735. DOI: 10.1063/1.1555797 |
1 |
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| 2003 |
Lüchow A, Neuhauser D, Ka J, Baer R, Chen J, Mandelshtam VA. Computing energy levels by inversion of imaginary-time cross-correlation functions Journal of Physical Chemistry A. 107: 7175-7180. DOI: 10.1021/jp034381p |
1 |
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| 2003 |
Baer R, Neuhauser D. Ab initio electrical conductance of a molecular wire International Journal of Quantum Chemistry. 91: 524-532. DOI: 10.1002/qua.10449 |
1 |
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| 2003 |
Baer R, Neuhauser D, Ždánská PR, Moiseyev N. Ionization and high-order harmonic generation in aligned benzene by a short intense circularly polarized laser pulse Physical Review a - Atomic, Molecular, and Optical Physics. 68: 043406/1-043406/8. |
1 |
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| 2002 |
Baer R, Neuhauser D. Phase coherent electronics: a molecular switch based on quantum interference. Journal of the American Chemical Society. 124: 4200-1. PMID 11960435 DOI: 10.1021/ja016605s |
1 |
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| 2000 |
Baer R, Neuhauser D. Molecular electronic structure using auxiliary field Monte Carlo, plane-waves, and pseudopotentials Journal of Chemical Physics. 112: 1679-1684. |
1 |
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| 1998 |
Baer R, Head-Gordon M, Neuhauser D. Shifted-contour auxiliary field Monte Carlo for ab initio electronic structure: Straddling the sign problem Journal of Chemical Physics. 109: 6219-6226. DOI: 10.1063/1.477300 |
1 |
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| 1998 |
Baer R, Zeiri Y, Kosloff R. Quantum diffusion of hydrogen and deuterium on nickel (100) Surface Science. 411: L783-L788. |
1 |
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| 1997 |
Baer R, Zeiri Y, Kosloff R. Hydrogen transport in nickel (111) Physical Review B - Condensed Matter and Materials Physics. 55: 10952-10974. |
1 |
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| 1997 |
Baer R, Kosloff R. Quantum dissipative dynamics of adsorbates near metal surfaces: A surrogate Hamiltonian theory applied to hydrogen on nickel Journal of Chemical Physics. 106: 8862-8875. |
1 |
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| 1996 |
Baer R, Charutz DM, Kosloff R, Baer M. A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations within a quasi-Jahn-Teller model Journal of Chemical Physics. 105: 9141-9152. |
1 |
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