Articles with "multiconfigurational study" as a keyword



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One- and multiconfigurational study of excited states of He atom in a small impenetrable cavity

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Published in 2017 at "Theoretical Chemistry Accounts"

DOI: 10.1007/s00214-017-2168-x

Abstract: AbstractThe system of ten low-lying electronic states of a helium atom placed in the center of an impenetrable spherical cavity of radius Rc is studied for the case of small cavities. The methods for numerical… read more here.

Keywords: multiconfigurational study; one multiconfigurational; cavity; excited states ... See more keywords