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Triple and quadruple excitations and the valence correlation energies of small molecules

✍ Scribed by Martyn F. Guest; Stephen Wilson

Book ID
107732323
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
311 KB
Volume
72
Category
Article
ISSN
0009-2614

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In critical cases, single-reference correlated methods like coupled-cluster theory or its quadratic CI approximations fail because of the importance of additional highly excited excitations that cannot usually be included, like connected triple and quadruple excitations. Here we present the first, n