| The time‐dependent Schrödinger equation: Application of absorbing boundary conditions D Neuhasuer, M Baer Journal of Chemical Physics 90, 4351, 1989 | 702 | 1989 |
| The time‐dependent Schrödinger equation: Application of absorbing boundary conditions DNM Baer Journal of Chemical Physics 90, 4351, 1989 | 702 | 1989 |
| Extraction, through filter‐diagonalization, of general quantum eigenvalues or classical normal mode frequencies from a small number of residues or a short‐time segment of a … MR Wall, D Neuhauser The Journal of chemical physics 102 (20), 8011-8022, 1995 | 676 | 1995 |
| Density functional theory with correct long-range asymptotic behavior R Baer, D Neuhauser Physical review letters 94 (4), 043002, 2005 | 498 | 2005 |
| Bound state eigenfunctions from wave packets: Time→ energy resolution D Neuhauser The Journal of chemical physics 93 (4), 2611-2616, 1990 | 390 | 1990 |
| Shot-noise limited single-molecule FRET histograms: comparison between theory and experiments E Nir, X Michalet, KM Hamadani, TA Laurence, D Neuhauser, ... The Journal of Physical Chemistry B 110 (44), 22103-22124, 2006 | 379 | 2006 |
| The application of wave packets to reactive atom–diatom systems: a new approach D Neuhauser, M Baer The Journal of chemical physics 91 (8), 4651-4657, 1989 | 332 | 1989 |
| Electrical or photocontrol of the rotary motion of a metallacarborane MF Hawthorne, JI Zink, JM Skelton, MJ Bayer, C Liu, E Livshits, R Baer, ... Science 303 (5665), 1849-1851, 2004 | 320 | 2004 |
| Fully quantal initial‐state‐selected reaction probabilities (J=0) for a four‐atom system: H2(v=0, 1, j=0)+OH(v=0,1, j=0)→H+H2O D Neuhauser The Journal of chemical physics 100 (12), 9272-9275, 1994 | 257 | 1994 |
| Phase coherent electronics: a molecular switch based on quantum interference R Baer, D Neuhauser Journal of the American Chemical Society 124 (16), 4200-4201, 2002 | 244 | 2002 |
| The application of time-dependent wavepacket methods to reactive scattering D Neuhauser, M Baer, RS Judson, DJ Kouri Computer physics communications 63 (1-3), 460-481, 1991 | 202 | 1991 |
| Optimal control of curve‐crossing systems P Gross, D Neuhauser, H Rabitz The Journal of chemical physics 96 (4), 2834-2845, 1992 | 174 | 1992 |
| Quantum interference in polycyclic hydrocarbon molecular wires D Walter, D Neuhauser, R Baer Chemical Physics 299 (1), 139-145, 2004 | 160 | 2004 |
| Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic Approach D Neuhauser, Y Gao, C Arntsen, C Karshenas, E Rabani, R Baer Physical review letters 113 (7), 076402, 2014 | 158 | 2014 |
| A time‐dependent wave packet approach to atom–diatom reactive collision probabilities: Theory and application to the H+H2 (J=0) system D Neuhauser, M Baer, RS Judson, DJ Kouri The Journal of chemical physics 93 (1), 312-322, 1990 | 154 | 1990 |
| State-to-State Rates for the D+ H2 (v= 1, j= 1)→ HD (v', j')+ H Reaction: Predictions and Measurements D Neuhauser, RS Judson, DJ Kouri, DE Adelman, NE Shafer, DAV Kliner, ... Science 257 (5069), 519-522, 1992 | 152 | 1992 |
| Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ... Journal of chemical theory and computation 14 (7), 3504-3511, 2018 | 150 | 2018 |
| Circumventing the Heisenberg principle: A rigorous demonstration of filter‐diagonalization on a LiCN model D Neuhauser The Journal of chemical physics 100 (7), 5076-5079, 1994 | 144 | 1994 |
| Ab initio study of the alternating current impedance of a molecular junction R Baer, T Seideman, S Ilani, D Neuhauser The Journal of chemical physics 120 (7), 3387-3396, 2004 | 140 | 2004 |
| Self-averaging stochastic Kohn-Sham density-functional theory R Baer, D Neuhauser, E Rabani Physical review letters 111 (10), 106402, 2013 | 136 | 2013 |
