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The Journal of Chemical Physics|December 20, 2012
Achieving partial decoherence in surface hopping through phase correctionNeil Shenvi, Weitao YangThe Journal of Chemical Physics|January 10, 2012
An algebraic operator approach to electronic structureNeil Shenvi, Weitao YangThe Journal of Chemical Physics|April 19, 2011
Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamicsNeil Shenvi, Joseph E Subotnik, Weitao YangThe Journal of Chemical Physics|July 20, 2011
Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunctionNeil Shenvi, Joseph E Subotnik, Weitao YangThe 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 Chemical Physics|August 10, 2013
The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scalingNeil Shenvi, Helen van Aggelen, Yang Yang, et al.The Journal of Chemical Physics|April 2, 2009
Phase-space surface hopping: nonadiabatic dynamics in a superadiabatic basisNeil ShenviThe Journal of Chemical Physics|January 19, 2011
A new approach to decoherence and momentum rescaling in the surface hopping algorithmJoseph E Subotnik, Neil ShenviThe 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 ShenviPhysical Review Letters|January 15, 2011
Active-space N-representability constraints for variational two-particle reduced density matrix calculationsNeil Shenvi, Artur F IzmaylovPageof 36