Explicitly correlated coupled cluster methods with pair-specific geminals
β Scribed by Werner, Hans-Joachim; Knizia, Gerald; Manby, Frederick R.
- Book ID
- 118025942
- Publisher
- Taylor and Francis Group
- Year
- 2011
- Tongue
- English
- Weight
- 286 KB
- Volume
- 109
- Category
- Article
- ISSN
- 0026-8976
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π SIMILAR VOLUMES
A general implementation of a perturbatively truncated version of the reduced multireference (RMR) coupled-cluster method with singles and doubles (CCSD) [Peris, G. et al. J Chem Phys 1999, 110, 11708]-representing the MR-CISD-based version of the so-called externally corrected CCSD-is described and
The many-body perturbation theory and the coupled cluster method with first-order correlation orbitals are used to study the structure of the linear Cs molecule. Calculations produce the equilibrium geometry with the outer and inner bond lengths equal to 1.294 and 1.287 A, respectively. This corresp