Ab initio calculation of energy levels of trivalent lanthanide ions-Reference-Cited by-同舟云学术

Ab initio calculation of energy levels of trivalent lanthanide ions

Published:2018 Issue:21 Volume:20 Page:14564-14577
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Freidzon Alexandra Ya.¹²³⁴⁵^ORCID,Kurbatov Ilia A.⁶⁷⁴^ORCID,Vovna Vitaliy I.⁶⁷⁴^ORCID

Affiliation:

1. Photochemistry Center

2. Russian Academy of Sciences

3. Moscow

4. Russia

5. National Research Nuclear University MEPhI (Moscow Engineering Physics Institute)

6. Far Eastern Federal University

7. Vladivostok

Abstract

A fully ab initio computational scheme employing CASSCF/XMCQDPT2/SO-CASSCF for the absorption and emission spectra of trivalent lanthanide complexes is presented.

Funder

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP08366A

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