Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: Delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT-Reference-Cited by-同舟云学术

Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: Delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT

Published:2011-07-28 Issue:4 Volume:135 Page:044118
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Yang Ke,Peverati Roberto,Truhlar Donald G.,Valero Rosendo

Funder

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3607312

Reference165 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Density functional theory for transition metals and transition metal chemistry

4. On the calculation of multiplet energies by the hartree-fock-slater method

5. Local-density theory of multiplet structure

Cited by 62 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Toward better halon substitutes: Effects of carbon chain length on pyrolytic and fire-suppressing mechanisms of perfluoroalkanes;Journal of Molecular Structure;2024-09

2. Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of Porphyrins;Molecules;2023-04-15

3. A DFT study on effective detection of ClCN gas by functionalized, decorated, and doped nanocone strategies;RSC Advances;2023

4. Trajectory surface hopping molecular dynamics on Chemiluminescence of cyclic peroxides;Journal of the Chinese Chemical Society;2022-09-13

5. The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase;The Journal of Chemical Physics;2022-04-07