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The Journal of Chemical Physics
|
April 2, 2009
Phase-space surface hopping: nonadiabatic dynamics in a superadiabatic basis
Neil Shenvi
The Journal of Chemical Physics
|
December 20, 2012
Achieving partial decoherence in surface hopping through phase correction
Neil Shenvi, Weitao Yang
The Journal of Chemical Physics
|
January 10, 2012
An algebraic operator approach to electronic structure
Neil Shenvi, Weitao Yang
The Journal of Chemical Physics
|
January 19, 2011
A new approach to decoherence and momentum rescaling in the surface hopping algorithm
Joseph E Subotnik, Neil Shenvi
The Journal of Chemical Physics
|
July 5, 2011
Decoherence and surface hopping: when can averaging over initial conditions help capture the effects of wave packet separation?
Joseph E Subotnik, Neil Shenvi
Physical Review Letters
|
January 15, 2011
Active-space N-representability constraints for variational two-particle reduced density matrix calculations
Neil Shenvi, Artur F Izmaylov
Faraday Discussions
|
December 13, 2012
Nonadiabatic dynamics at metal surfaces: independent electron surface hopping with phonon and electron thermostats
Neil Shenvi, John C Tully
The Journal of Chemical Physics
|
April 19, 2011
Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics
Neil Shenvi, Joseph E Subotnik, Weitao Yang
The Journal of Chemical Physics
|
July 23, 2004
Efficient chemical kinetic modeling through neural network maps
Neil Shenvi, J M Geremia, Herschel Rabitz
The Journal of Chemical Physics
|
May 12, 2009
Nonadiabatic dynamics at metal surfaces: independent-electron surface hopping
Neil Shenvi, Sharani Roy, John C Tully
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
April 2, 2009
Phase-space surface hopping: nonadiabatic dynamics in a superadiabatic basis
Neil Shenvi
The Journal of Chemical Physics
|
December 20, 2012
Achieving partial decoherence in surface hopping through phase correction
Neil Shenvi, Weitao Yang
The Journal of Chemical Physics
|
January 10, 2012
An algebraic operator approach to electronic structure
Neil Shenvi, Weitao Yang
The Journal of Chemical Physics
|
January 19, 2011
A new approach to decoherence and momentum rescaling in the surface hopping algorithm
Joseph E Subotnik, Neil Shenvi
The Journal of Chemical Physics
|
July 5, 2011
Decoherence and surface hopping: when can averaging over initial conditions help capture the effects of wave packet separation?
Joseph E Subotnik, Neil Shenvi
Physical Review Letters
|
January 15, 2011
Active-space N-representability constraints for variational two-particle reduced density matrix calculations
Neil Shenvi, Artur F Izmaylov
Faraday Discussions
|
December 13, 2012
Nonadiabatic dynamics at metal surfaces: independent electron surface hopping with phonon and electron thermostats
Neil Shenvi, John C Tully
The Journal of Chemical Physics
|
April 19, 2011
Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics
Neil Shenvi, Joseph E Subotnik, Weitao Yang
The Journal of Chemical Physics
|
July 23, 2004
Efficient chemical kinetic modeling through neural network maps
Neil Shenvi, J M Geremia, Herschel Rabitz
The Journal of Chemical Physics
|
May 12, 2009
Nonadiabatic dynamics at metal surfaces: independent-electron surface hopping
Neil Shenvi, Sharani Roy, John C Tully
Page
of 3