Full spin-orbit configuration interaction calculations on electronic states of LiBe
β Scribed by K. Pak; W. C. Ermler; C. W. Kern; V. E. Bondybey
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 539 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1040-7278
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π SIMILAR VOLUMES
Relativisuc configuration interaction calculations are described for stx low-lying elertroruc states of J-II. The spearox+ proper~~~ or these states are calculated and compared with available experimental results. 1\_ Intioduction The hydrogen iodide molecule has been of considerable experimental an
Ab initio extcnsivc configuration interaction calculations were wrried out on the n-electron stsies of benzene. Among the three = -+ T;\*(elg+ e,,) sinplet states, 'BzU(SI). 'B1,(SI), and 'El, (S ), the TY\* orbital WZF found tc 3 b2 valence-like in S, and Sz, but diffuse in S3. All three correspon
## 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