𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The role of orbital transformations in coupled-pair functionals

✍ Scribed by Christian Kollmar; Andreas Heßelmann

Publisher
Springer
Year
2009
Tongue
English
Weight
390 KB
Volume
127
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The coupled-pair approximation in a basi
The coupled-pair approximation in a basis of independent-pair natural orbitals
✍ Peter R. Taylor; G.B. Bacskay; N.S. Hush; A.C. Hurley 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 691 KB

A computational method based on a rapidly convergent form of the unlinked cluster expansion is presented, &&G's CoupIed-pair approximation (CPA) is derived in a basis of partially non-orthogonal orbitals which transform each palr function to diagonal form; this produces a simple (non-variational) se