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The Journal of Chemical Physics|December 17, 2013
Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximationYang Yang, Helen van Aggelen, Weitao Yang
The Journal of Chemical Physics|March 25, 2010
Conductive junctions with parallel graphene sheetsXiao Zheng, San-Huang Ke, Weitao Yang
The Journal of Chemical Physics|June 24, 2010
A gradient-directed Monte Carlo method for global optimization in a discrete space: application to protein sequence design and foldingXiangqian Hu, David N Beratan, Weitao Yang
Physical Review Letters|April 20, 2004
Potential functionals: dual to density functionals and solution to the v-representability problemWeitao Yang, Paul W Ayers, Qin Wu
The Journal of Chemical Physics|August 27, 2005
Orbital-dependent correlation energy in density-functional theory based on a second-order perturbation approach: success and failurePaula Mori-Sánchez, Qin Wu, Weitao Yang
The Journal of Chemical Physics|August 22, 2008
A gradient-directed Monte Carlo approach to molecular designXiangqian Hu, David N Beratan, Weitao Yang
The Journal of Chemical Physics|July 20, 2011
Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunctionNeil Shenvi, Joseph E Subotnik, Weitao Yang
Physical Chemistry Chemical Physics : PCCP|August 15, 2013
Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitalsLiang Peng, Feng Long Gu, Weitao Yang
Physical Chemistry Chemical Physics : PCCP|January 12, 2012
Higher-order split operator schemes for solving the Schrödinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculationsZhigang Sun, Weitao Yang, Dong H Zhang
Proceedings of the National Academy of Sciences of the United States of America|August 17, 2016
Nature of ground and electronic excited states of higher acenesYang Yang, Ernest R Davidson, Weitao Yang
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