Spin−Orbit Splittings in the Third-Row Transition Elements: Comparison of Effective Nuclear Charge and Full Breit−Pauli Calculations-Reference-Cited by-同舟云学术

Spin−Orbit Splittings in the Third-Row Transition Elements: Comparison of Effective Nuclear Charge and Full Breit−Pauli Calculations

Published:2001-08-10 Issue:35 Volume:105 Page:8262-8268
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Koseki Shiro¹,Fedorov Dmitri G.¹,Schmidt Michael W.¹,Gordon Mark S.¹

Affiliation:

1. Chemistry Department for Materials, Faculty of Engineering, Mie University, Tsu 514-8507, Japan, and Department of Chemistry, Iowa State University, Ames, Iowa 50011

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp011677r

Reference103 articles.

1. A Model Study of the Mechanism of the Type B (Di-π-methane) and Lumiketone Rearrangement in Rotationally Constrained α,β-Enones

2. Spin−Orbit Coupling in Biradicals. 2. Ab Initio Methodology and Application to 1,1-Biradicals: Carbene and Silylene

Cited by 60 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. State Interaction for Relativistic Four-Component Methods: Choose the Right Zeroth-Order Hamiltonian for Late-Row Elements;Journal of Chemical Theory and Computation;2024-09-10

2. Theoretical study on the differences in donor‐acceptor interaction and electron transition mechanism in Pd(II) and Pt(II) complexes;International Journal of Quantum Chemistry;2024-05-21

3. Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF;The Journal of Physical Chemistry A;2024-03-15

4. First-Principles Calculations of Excited-State Decay Rate Constants in Organic Fluorophores;The Journal of Physical Chemistry A;2023-11-21

5. State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin–Orbit Coupling: Benchmark and Perspectives;JACS Au;2023-02-01