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DANIEL NEUHAUSER
DANIEL NEUHAUSER
Professor, Department of Chemistry and Biochemistry, UCLA
Verified email at g.ucla.edu - Homepage
Title
Cited by
Cited by
Year
The time‐dependent Schrödinger equation: Application of absorbing boundary conditions
D Neuhasuer, M Baer
Journal of Chemical Physics 90, 4351, 1989
7031989
The time‐dependent Schrödinger equation: Application of absorbing boundary conditions
DNM Baer
Journal of Chemical Physics 90, 4351, 1989
7031989
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
6781995
Density functional theory with correct long-range asymptotic behavior
R Baer, D Neuhauser
Physical review letters 94 (4), 043002, 2005
5022005
Bound state eigenfunctions from wave packets: Time→ energy resolution
D Neuhauser
The Journal of chemical physics 93 (4), 2611-2616, 1990
3911990
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
3832006
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
3321989
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
3232004
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
2571994
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
2452002
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
2031991
Optimal control of curve‐crossing systems
P Gross, D Neuhauser, H Rabitz
The Journal of chemical physics 96 (4), 2834-2845, 1992
1751992
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
1622014
Quantum interference in polycyclic hydrocarbon molecular wires
D Walter, D Neuhauser, R Baer
Chemical Physics 299 (1), 139-145, 2004
1622004
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
1552018
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
1541990
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
1521992
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
1441994
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
1402004
Self-averaging stochastic Kohn-Sham density-functional theory
R Baer, D Neuhauser, E Rabani
Physical review letters 111 (10), 106402, 2013
1372013
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Articles 1–20