Ab initio self-consistent field and configuration interaction study of beryllium borohydride
β Scribed by Marynick, Dennis S.; Lipscomb, William N.
- Book ID
- 120987038
- Publisher
- American Chemical Society
- Year
- 1973
- Tongue
- English
- Weight
- 793 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0002-7863
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## Abstract The __ab initio__ multiconfiguration selfβconsistentβfield (MC SCF) techniques and computer programs of Basch [1, 2] and the __ab initio__ configuration interaction (CI) techniques and programs of Whitten and Hackmeyer [3] have been combined and generalized to form a general technique a
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.