Multireference perturbation theory with improved virtual orbitals for radicals: More degeneracies, more problems.

Autor: Sinha Ray, Suvonil1, Manna, Shovan1, Ghosh, Anirban1, Chaudhuri, Rajat K.2, Chattopadhyay, Sudip1 sudip@chem.iiests.ac.in
Zdroj: International Journal of Quantum Chemistry. Feb2019, Vol. 119 Issue 4, pN.PAG-N.PAG. 1p.
Databáze: Academic Search Ultimate
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