Configuration interaction studies on low-lying valence and Rydberg states of PO
β Scribed by Grein, Friedrich
- Book ID
- 121331143
- Publisher
- American Institute of Physics
- Year
- 1983
- Tongue
- English
- Weight
- 774 KB
- Volume
- 78
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.444507
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π SIMILAR VOLUMES
## Abstract The allβelectron full configuration interaction (FCI) vertical excitation energies for some low lying valence and Rydberg excited states of BeH are presented in this article. A basis set of valence atomic natural orbitals has been augmented with a series of Rydberg orbitals that have be
## Self -connstent field and conf@uratlon mteractlon ulculatlons were performed on the ground state and the ' (n,x\*), 3(n.a\*) and 3(n.n\*) evxed states ofacetyl fluoride CH3COF Theoretlal vertical excztatlon energes are 4 81 eV for 3(n.n\*). 5 27 eV for t (n,n\*) and 6 15 eV ior 3(~ a\*) The Ltt