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Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)

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


Book ID
120976804
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
563 KB
Volume
114
Category
Article
ISSN
0021-9606

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Linear scaling local correlation approac
✍ Shuhua Li; Jing Ma; Yuansheng Jiang 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 159 KB 👁 1 views

## 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