Daniel Neuhauser

发表

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett, 2018, Journal of chemical theory and computation.

Stochastic density functional theory

Eran Rabani, Roi Baer, Daniel Neuhauser, 2018, WIREs Computational Molecular Science.

Efficient linear-response method circumventing the exchange-correlation kernel: theory for molecular conductance under finite bias.

Roi Baer, Daniel Neuhauser, R. Baer, 2005, The Journal of chemical physics.

Communication: Monte Carlo calculation of the exchange energy.

Roi Baer, Daniel Neuhauser, R. Baer, 2012, The Journal of chemical physics.

Communication: Embedded fragment stochastic density functional theory.

Eran Rabani, Roi Baer, Daniel Neuhauser, 2014, The Journal of chemical physics.

Expeditious Stochastic Calculation of Random-Phase Approximation Energies for Thousands of Electrons in Three Dimensions.

Eran Rabani, Roi Baer, Daniel Neuhauser, 2013, The journal of physical chemistry letters.

Optimal control of unimolecular reactions in the collisional regime

Herschel Rabitz, Daniel Neuhauser, D. Neuhauser, 1991 .

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

Daniel Neuhauser, D. Neuhauser, 1994 .

Stochastic Self-Consistent Second-Order Green's Function Method for Correlation Energies of Large Electronic Systems.

Dominika Zgid, Roi Baer, Daniel Neuhauser, 2017, Journal of chemical theory and computation.

Multiscale Maxwell-Schrodinger modeling: A split field finite-difference time-domain approach to molecular nanopolaritonics.

Daniel Neuhauser, D. Neuhauser, K. Lopata, 2009, The Journal of chemical physics.

Communication: dynamical embedding: correct quantum response from coupling TDDFT for a small cluster with classical near-field electrodynamics for an extended region.

Daniel Neuhauser, D. Neuhauser, Yi Gao, 2013, The Journal of chemical physics.

A mathematical model of BCR-ABL autophosphorylation, signaling through the CRKL pathway, and Gleevec dynamics in chronic myeloid leukemia

Joseph J. DiStefano, Luonan Chen, Pep Charusanti, 2003 .

Time‐dependent reactive scattering in the presence of narrow resonances: Avoiding long propagation times

Daniel Neuhauser, D. Neuhauser, 1991 .

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 signal. I. Theory and application to a quantum‐dynamics model

Daniel Neuhauser, D. Neuhauser, M. Wall, 1995 .

Size-Dependent Plasmonic Resonances from Large-Scale Quantum Simulations.

Xu Zhang, Gang Lu, Daniel Neuhauser, 2014, The journal of physical chemistry letters.

Shot-noise limited single-molecule FRET histograms: comparison between theory and experiments.

Shimon Weiss, Xavier Michalet, Yevgeniy Kovchegov, 2006, The journal of physical chemistry. B.

Far-Field Super-resolution Detection of Plasmonic Near-Fields.

Shimon Weiss, Daniel Neuhauser, D. Neuhauser, 2016, ACS nano.

A Guided Stochastic Energy-Domain Formulation of the Second Order Møller-Plesset Perturbation Theory.

Eran Rabani, Roi Baer, Daniel Neuhauser, 2014, The journal of physical chemistry letters.

Quantum mechanical calculation of inelastic scattering of an atom by a large anharmonic cluster: Application to He+Ar13

Daniel Neuhauser, D. Neuhauser, R. Gerber, 1998 .

Optimal control of curve‐crossing systems

Herschel Rabitz, Daniel Neuhauser, D. Neuhauser, 1992 .

Teaching lasers to control molecules in the presence of laboratory field uncertainty and measurement imprecision

Herschel Rabitz, Daniel Neuhauser, D. Neuhauser, 1993 .

Circumventing the Heisenberg principle: A rigorous demonstration of filter‐diagonalization on a LiCN model

Daniel Neuhauser, D. Neuhauser, 1994 .