The time‐dependent Schrödinger equation: Application of absorbing boundary conditions D Neuhasuer, M Baer
Journal of Chemical Physics 90, 4351, 1989
706 1989 The time‐dependent Schrödinger equation: Application of absorbing boundary conditions DNM Baer
Journal of Chemical Physics 90, 4351, 1989
706 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
677 1995 Density functional theory with correct long-range asymptotic behavior R Baer, D Neuhauser
Physical review letters 94 (4), 043002, 2005
506 2005 Bound state eigenfunctions from wave packets: Time→ energy resolution D Neuhauser
The Journal of chemical physics 93 (4), 2611-2616, 1990
392 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
385 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
333 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
325 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+H2 O D Neuhauser
The Journal of chemical physics 100 (12), 9272-9275, 1994
258 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
250 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
203 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 Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic D Neuhauser, Y Gao, C Arntsen, C Karshenas, E Rabani, R Baer
Physical review letters 113 (7), 076402, 2014
165 2014 Quantum interference in polycyclic hydrocarbon molecular wires D Walter, D Neuhauser, R Baer
Chemical physics 299 (1), 139-145, 2004
161 2004 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
158 1990 Psi 4Num Py : 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
156 2018 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
150 1992 Self-averaging stochastic Kohn-Sham density-functional theory R Baer, D Neuhauser, E Rabani
Physical review letters 111 (10), 106402, 2013
143 2013 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
143 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 