共 50 条
- [41] A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effect JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (15):
- [46] Structural and electronic properties of lead sulfide quantum dots from screened hybrid density functional calculations including spin–orbit coupling effects Theoretical Chemistry Accounts, 2017, 136
- [47] Accurate prediction of spectroscopic parameters of transition metal complexes via spin density functional theory and perturbational spin-orbit coupling ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
- [48] Restricted open-shell time-dependent density functional theory with perturbative spin-orbit coupling JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (09):
- [49] Density functional theory study of the Jahn-Teller effect and spin-orbit coupling for copper and gold trimers JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (03): : 512 - 519