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The Journal of Chemical Physics
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December 19, 2025
Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions
Tian Qiu, Joseph E Subotnik
The Journal of Chemical Physics
|
November 28, 2012
Optimal diabatic states based on solvation parameters
Ethan Alguire, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
November 30, 2017
Comparison between the Bethe-Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D Hubbard Chains
Qi Ou, Joseph E Subotnik
The Journal of Chemical Physics
|
July 9, 2021
Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states
Yanze Wu, Joseph E Subotnik
The Journal of Chemical Physics
|
December 20, 2012
How to recover Marcus theory with fewest switches surface hopping: add just a touch of decoherence
Brian R Landry, Joseph E Subotnik
The Journal of Chemical Physics
|
November 14, 2020
Analytic gradients and derivative couplings for configuration interaction with all single excitations and one double excitation-En route to nonadiabatic dynamics
Hung-Hsuan Teh, Joseph E Subotnik
The Journal of Chemical Physics
|
July 10, 2014
How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: a simple generalization of ground-state Kubo theory
Andrew S Petit, Joseph E Subotnik
The Journal of Chemical Physics
|
March 16, 2015
Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)
Brian R Landry, Joseph E Subotnik
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2018
When is electronic friction reliable for dynamics at a molecule-metal interface?
Alec J Coffman, Joseph E Subotnik
The Journal of Chemical Physics
|
November 25, 2011
Communication: Standard surface hopping predicts incorrect scaling for Marcus' golden-rule rate: the decoherence problem cannot be ignored
Brian R Landry, Joseph E Subotnik
Page
of 17
Search research articles
Search
Showing results (31-40 of 166) with videos related to
Sort By:
Page
of 17
The Journal of Chemical Physics
|
December 19, 2025
Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions
Tian Qiu, Joseph E Subotnik
The Journal of Chemical Physics
|
November 28, 2012
Optimal diabatic states based on solvation parameters
Ethan Alguire, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
November 30, 2017
Comparison between the Bethe-Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D Hubbard Chains
Qi Ou, Joseph E Subotnik
The Journal of Chemical Physics
|
July 9, 2021
Semiclassical description of nuclear dynamics moving through complex-valued single avoided crossings of two electronic states
Yanze Wu, Joseph E Subotnik
The Journal of Chemical Physics
|
December 20, 2012
How to recover Marcus theory with fewest switches surface hopping: add just a touch of decoherence
Brian R Landry, Joseph E Subotnik
The Journal of Chemical Physics
|
November 14, 2020
Analytic gradients and derivative couplings for configuration interaction with all single excitations and one double excitation-En route to nonadiabatic dynamics
Hung-Hsuan Teh, Joseph E Subotnik
The Journal of Chemical Physics
|
July 10, 2014
How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: a simple generalization of ground-state Kubo theory
Andrew S Petit, Joseph E Subotnik
The Journal of Chemical Physics
|
March 16, 2015
Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)
Brian R Landry, Joseph E Subotnik
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2018
When is electronic friction reliable for dynamics at a molecule-metal interface?
Alec J Coffman, Joseph E Subotnik
The Journal of Chemical Physics
|
November 25, 2011
Communication: Standard surface hopping predicts incorrect scaling for Marcus' golden-rule rate: the decoherence problem cannot be ignored
Brian R Landry, Joseph E Subotnik
Page
of 17