Toward Chemical Accuracy in ab Initio Thermochemistry and Spectroscopy of Lanthanide Compounds: Assessing Core–Valence Correlation, Second-Order Spin–Orbit Coupling, and Higher Order Effects in Lanthanide Diatomics-Reference-Cited by-同舟云学术

Toward Chemical Accuracy in ab Initio Thermochemistry and Spectroscopy of Lanthanide Compounds: Assessing Core–Valence Correlation, Second-Order Spin–Orbit Coupling, and Higher Order Effects in Lanthanide Diatomics

Published:2017-10-03 Issue:11 Volume:13 Page:5240-5254
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Solomonik Victor G.¹^ORCID,Smirnov Alexander N.¹

Affiliation:

1. Ivanovo State University of Chemistry and Technology, Ivanovo 153000, Russia

Funder

Russian Foundation for Basic Research

Ministry of Education and Science of the Russian Federation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00408

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3. Dolg, M., Ed.Computational Methods in Lanthanide and Actinide Chemistry;Wiley, 2015; pp425–450.

4. Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges

5. Prediction of Thermochemical Properties Across the Periodic Table

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