Showing results (1-10 of 437) with videos related to
Sort By:
Pageof 44
Journal of Chemical Theory and Computation|May 10, 2016
Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet TransitionsZhendong Li, Wenjian LiuThe Journal of Chemical Physics|January 21, 2012
Theoretical and numerical assessments of spin-flip time-dependent density functional theoryZhendong Li, Wenjian LiuJournal of Chemical Theory and Computation|December 18, 2015
Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet TransitionsZhendong Li, Wenjian LiuThe Journal of Chemical Physics|August 17, 2010
Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. TheoryZhendong Li, Wenjian LiuThe Journal of Chemical Physics|November 25, 2011
Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulationZhendong Li, Wenjian LiuThe Journal of Chemical Physics|July 10, 2014
First-order nonadiabatic coupling matrix elements between excited states: a Lagrangian formulation at the CIS, RPA, TD-HF, and TD-DFT levelsZhendong Li, Wenjian LiuThe Journal of Chemical Physics|October 23, 2012
On the spin separation of algebraic two-component relativistic HamiltoniansZhendong Li, Yunlong Xiao, Wenjian LiuThe Journal of Chemical Physics|January 3, 2015
First order nonadiabatic coupling matrix elements between excited states: implementation and application at the TD-DFT and pp-TDA levelsZhendong Li, Bingbing Suo, Wenjian LiuThe Journal of Chemical Physics|August 10, 2014
On the spin separation of algebraic two-component relativistic Hamiltonians: molecular propertiesZhendong Li, Yunlong Xiao, Wenjian LiuThe Journal of Chemical Physics|April 17, 2012
Relativistic explicit correlation: coalescence conditions and practical suggestionsZhendong Li, Sihong Shao, Wenjian LiuPageof 44