Combining spin-adapted open-shell TD-DFT with spin–orbit coupling

Multi-configuration time-dependent density-functional theory based on range separation

(2013) Emmanuel Fromager et al.   JOURNAL OF CHEMICAL PHYSICS

Equation of motion coupled cluster method for electron attached states with spin–orbit coupling

(2012) Dong-Dong Yang et al.   CHEMICAL PHYSICS LETTERS

Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling

(2012) Zheyan Tu et al.   JOURNAL OF CHEMICAL PHYSICS

On the spin separation of algebraic two-component relativistic Hamiltonians

(2012) Zhendong Li et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical and numerical assessments of spin-flip time-dependent density functional theory

(2012) Zhendong Li et al.   JOURNAL OF CHEMICAL PHYSICS

Perspectives on double-excitations in TDDFT

(2011) Peter Elliott et al.   CHEMICAL PHYSICS

Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores

(2011) Miquel Huix-Rotllant et al.   CHEMICAL PHYSICS

Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactions

(2011) Ayako Nakata et al.   JOURNAL OF CHEMICAL PHYSICS

Double excitations in correlated systems: A many–body approach

(2011) Davide Sangalli et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation

(2011) Zhendong Li et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application

(2011) Zhendong Li et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory

(2010) Zhendong Li et al.   JOURNAL OF CHEMICAL PHYSICS

Ideas of relativistic quantum chemistry

(2010) Wenjian Liu   MOLECULAR PHYSICS

Relativistic adiabatic time-dependent density functional theory using hybrid functionals and noncollinear spin magnetization

(2009) Radovan Bast et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

On the construction of Kramers paired double group symmetry functions

(2009) Daoling Peng et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Time-dependent relativistic density functional study of Yb and YbO

(2009) WenHua Xu et al.   Science in China. Series B, Chemistry