𝔖 Bobbio Scriptorium
✦   LIBER   ✦

“Unlinked cluster” corrections to coupled electron pair theories

✍ Scribed by Sally Prime; Michael A. Robb


Book ID
103017031
Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
681 KB
Volume
35
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Perturbative corrections to account for
✍ Miles J.O. Deegan; Peter J. Knowles 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 541 KB

The application of the coupled cluster method restricted to single and double excitations (CCSD) to a non-Hat-tree-Fock determinantal reference wavefunction is examined, with particular emphasis on the case of spin-restricted open shell reference states. By considering the perturbation expansions of

Fock-space multireference coupled-cluste
✍ Nayana Vaval; Keya B. Ghose; Sourav Pal; Debashis Mukherjee 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 493 KB

We propose a highly correlated scheme for implementing a Fock-space multireference coupled-cluster theory for computing directly ionization potentials ( IPs). We include all the single and double excitation cluster amplitudes and certain contributions from the triples which contribute at third and f