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MBPT and coupled cluster calculation on the neon atom with numerical orbitals
Author(s) -
Adamowicz Ludwik,
Bartlett Rodney J.
Publication year - 1987
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560310117
Subject(s) - coupled cluster , atomic orbital , atomic physics , diatomic molecule , cluster (spacecraft) , neon , atom (system on chip) , physics , molecular orbital , chemistry , quantum mechanics , molecule , argon , electron , computer science , embedded system , programming language
Our diatomic coupled cluster method with numerical orbitals has been applied to the Ne atom. Second, third, and full fourth order MBPT correlation corrections as well as coupled cluster correlation energies are reported.