All-electron relativistic computations on the low-lying electronic states, bond length, and vibrational frequency of CeF diatomic molecule with spin-orbit coupling effects-Reference-Cited by-同舟云学术

All-electron relativistic computations on the low-lying electronic states, bond length, and vibrational frequency of CeF diatomic molecule with spin-orbit coupling effects

Published:2018-01-30 Issue:16 Volume:39 Page:964-972
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Kondo Yusuke¹,Kobayashi Masato²^ORCID,Akama Tomoko²,Noro Takeshi²,Taketsugu Tetsuya²^ORCID

Affiliation:

1. Graduate School of Chemical Sciences and Engineering; Hokkaido University; Sapporo 060-0810 Japan

2. Department of Chemistry, Faculty of Science; Hokkaido University; Sapporo 060-0810 Japan

Funder

JSPS KAKENHI

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference36 articles.

1. Lanthanides in magnetic resonance imaging

2. CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes

3. Spin-Orbit Coupling and Other Relativistic Effects in Atoms and Molecules

4. Spin–orbit CI study on multiplet terms of trivalent lanthanide cations

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