Extension of frozen natural orbital approximation to...

Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets

Pokhilko, Pavel, Izmodenov, Daniil, Krylov, Anna I.
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Volume:
152
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5138643
Date:
January, 2020
File:
PDF, 1.97 MB
english, 2020
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