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The Journal of Chemical Physics
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July 20, 2011
Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction
Neil Shenvi, Joseph E Subotnik, Weitao Yang
Physical Review Letters
|
October 13, 2007
Semiclassical dynamics of electron transfer at metal surfaces
Hongzhi Cheng, Neil Shenvi, John C Tully
Science (New York, N.Y.)
|
November 7, 2009
Dynamical steering and electronic excitation in NO scattering from a gold surface
Neil Shenvi, Sharani Roy, John C Tully
The Journal of Chemical Physics
|
July 26, 2013
Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computations
Erik P Hoy, Neil Shenvi, David A Mazziotti
The Journal of Chemical Physics
|
December 3, 2008
Controlling spin contamination using constrained density functional theory
J R Schmidt, Neil Shenvi, John C Tully
The Journal of Chemical Physics
|
October 25, 2006
Vibrational relaxation of NO on Au(111) via electron-hole pair generation
Neil Shenvi, Sharani Roy, Priya Parandekar, et al.
The Journal of Chemical Physics
|
July 17, 2014
Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4))
Neil Shenvi, Helen van Aggelen, Yang Yang, et al.
The Journal of Physical Chemistry. A
|
October 2, 2008
Transition state barriers in multidimensional Marcus theory
Jill Zwickl, Neil Shenvi, J R Schmidt, et al.
The Journal of Chemical Physics
|
June 25, 2009
The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactions
Joseph E Subotnik, Robert J Cave, Ryan P Steele, et al.
The Journal of Chemical Physics
|
August 10, 2013
The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling
Neil Shenvi, Helen van Aggelen, Yang Yang, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
July 20, 2011
Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction
Neil Shenvi, Joseph E Subotnik, Weitao Yang
Physical Review Letters
|
October 13, 2007
Semiclassical dynamics of electron transfer at metal surfaces
Hongzhi Cheng, Neil Shenvi, John C Tully
Science (New York, N.Y.)
|
November 7, 2009
Dynamical steering and electronic excitation in NO scattering from a gold surface
Neil Shenvi, Sharani Roy, John C Tully
The Journal of Chemical Physics
|
July 26, 2013
Comparison of low-rank tensor expansions for the acceleration of quantum chemistry computations
Erik P Hoy, Neil Shenvi, David A Mazziotti
The Journal of Chemical Physics
|
December 3, 2008
Controlling spin contamination using constrained density functional theory
J R Schmidt, Neil Shenvi, John C Tully
The Journal of Chemical Physics
|
October 25, 2006
Vibrational relaxation of NO on Au(111) via electron-hole pair generation
Neil Shenvi, Sharani Roy, Priya Parandekar, et al.
The Journal of Chemical Physics
|
July 17, 2014
Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4))
Neil Shenvi, Helen van Aggelen, Yang Yang, et al.
The Journal of Physical Chemistry. A
|
October 2, 2008
Transition state barriers in multidimensional Marcus theory
Jill Zwickl, Neil Shenvi, J R Schmidt, et al.
The Journal of Chemical Physics
|
June 25, 2009
The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactions
Joseph E Subotnik, Robert J Cave, Ryan P Steele, et al.
The Journal of Chemical Physics
|
August 10, 2013
The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling
Neil Shenvi, Helen van Aggelen, Yang Yang, et al.
Page
of 3