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Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical
Pastorczak, Ewa, Hapka, Michal, Veis, Libor, Pernal, KatarzynaLanguage:
english
Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.9b01582
Date:
July, 2019
File:
PDF, 848 KB
english, 2019