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Extrapolating the coupled-cluster sequence toward the full configuration-interaction limit

✍ Scribed by Goodson, David Z.

Book ID
111892224
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
264 KB
Volume
116
Category
Article
ISSN
0021-9606

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The coupled-cluster method restricted to single and double excitations from a closed-shell reference function (CCSD) and the corresponding quadratic configuration interaction method (QCISD) are formulated in terms of quantities which can be computed directly from the two-electron integrals in A0 bas