## 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
Valence full configuration interaction calculation of the CN+ ion
β Scribed by N. Shimakura; H. Inouye; N. Honjou; M. Sagara; K. Ohno
- Book ID
- 107731846
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 404 KB
- Volume
- 55
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract CI calculations were performed on the energies and relative intensities of the outer and inner valence levels of the CS molecule. Breakdown of the oneβparticle model is discussed in terms of CI, and the results are compared with the analogous investigations using the Green's function te
The eight verhcal valence ionization energies of the water dimer are calculated by the ACI method. EwAlcnt agreement wlh mcxwementsof the lirst and second lomzauon energws is found. Calculations of the remaining SW iomzatlon enrrges IS found. Calculations of the remvnmg su ionization energrcs are su