Hamiltonian for the orbitals of general multiconfigurational self consistent field wave functions
โ Scribed by Yasuyuki Ishikawa; W. H. Eugen Schwarz
- Publisher
- Springer
- Year
- 1980
- Tongue
- English
- Weight
- 406 KB
- Volume
- 55
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Thu orbital cquatlons for the direct construction of loc.~lizcd flxcd orbit& by multrconfiguration scIf-consistent field theory (hlCSC1 -FXO) arc trnnsformcd without dpproximJtu\_nl mto pseudopotcntwl form by a two-step process. First t11c utlhlation of ;I p,Mlcular tamely of loc.kation potcntl.d\ i
A computational scheme is proposed for generating effective orbital sets for electron groups within the framework of the multiconfiguration self-consistent field-configuration interaction (MCSCF-CI) approach in the ab initio model potential method.