Many-body perturbation theory and coupled-cluster calculations of the ground-state structure of CO3
β Scribed by Marcos A. Castro; Sylvio Canuto; Alfredo M. Simas
- Book ID
- 107735221
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 383 KB
- Volume
- 177
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
We rely on a finite-field approach to calculate the static dipole ((u) and quadrupole ( C) polarizability and the first (/3) and second ( y) dipole hyperpolarizability of methane. Our best, CCSD( T) values for LY, /II and the mean value of y and C, obtained at&=2.052 aowitha (lls7p4d2f/6s2pld)[6s4p4
## Abstract Manyβbody perturbation calculations have been performed for the ground state of the carbon monoxide molecule at its equilibrium internuclear separation. The calculations are complete through third order within the algebraic approximation; i.e., the state functions are parameterized by e