An ab initio study on the electronic structure of the 32Σ+u, 32Σ+g and 42Σ+g states of N+2
✍ Scribed by Nobumitsu Honjou; Eisaku Miyoshi
- Book ID
- 114143073
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 206 KB
- Volume
- 451
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ab initio ~.kulations are performed 10 obtiin potenti energy curves for the X lx', state of Liz and Na\_. and the >; 2~; and A 'C; Ufcs of their anions The A 'Xi 31; curves are fwund IO mtersect the X 'z~>!z curves at lo\\ ener~res and are expected to phy ;! mtljor role in the e-+ hlz -hl-+ 11 proce
Large-scale CI calculations are carried out to obtain accurate potential energy surfaces for the . . . g 2 manifold (X 3 ⌺ g Ϫ , 1 1 ⌬ g , 1 1 ⌺ g ϩ ) of electronic states of NCN. Separation of the low-lying singlet states from the triplet ground state is computed in close agreement with the results