The Low-Lying Excited States of Pyridine
β Scribed by Cai, Zheng-Li; Reimers, Jeffrey R.
- Book ID
- 127086239
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 250 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
keccived 2 November 3.974 The multiconfiguration method based on the generalized Brillouin theorem is well suited to optimize orbit& in variational wavcfunctions forlow-lyingcxsitcds~tcs ofa+vensyrnmetry.Such ~=vof~unctions~ccon~edtabeoahopo~to 2nd nonintemclie with the wavcfunchons for all lower.s
The ground state and low-lying states of MgH: are studied at the complete-active-space self-consistent-field and multireference configuration-interaction levels of theory. The binding energies of the \*I& and 2B2 states (relative to their asymptote) are significantly larger than that of the \*A, gro