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An efficient local coupled cluster method for accurate thermochemistry of large systems

✍ Scribed by Werner, Hans-Joachim; Schütz, Martin


Book ID
120265931
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
725 KB
Volume
135
Category
Article
ISSN
0021-9606

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## Abstract A linear scaling local correlation approach is proposed for approximately solving the coupled cluster doubles (CCD) equations of large systems in a basis of orthogonal localized molecular orbitals (LMOs). By restricting double excitations from spatially close occupied LMOs into their as