Configuration selection in the MCSCF method. I. Application to the B1∑+ state of HF
✍ Scribed by K. V. Darvesh; F. Grein
- Book ID
- 104581617
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 544 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Configuration selection methods for multiconfiguration (MC) SCF wavefunctions have been applied to the van der Waals X 'Z+ ground state of LiHe. The configuration selection was restricted to "dispersion" configurations, corresponding to simultaneous single excitations out of each atom. Energy loweri
## Abstract Both selective (__T__~1~^S^) and biselective relaxation times (__T__~1~^BS^) were measured for the sulphur containing alkaloids, guinesine‐A, ‐B and ‐C (Ia, Ib and Ic). Their configurations and conformations were determined using the interproton distances (r~__ij__~) derived from the cr