Linear scaling local correlation approac
Linear scaling local correlation approach for solving the coupled cluster equations of large systems
✍
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