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Structure of the exact wave function. II. Iterative configuration interaction method

โœ Scribed by Nakatsuji, Hiroshi; Davidson, Ernest R.


Book ID
115452781
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
311 KB
Volume
115
Category
Article
ISSN
0021-9606

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๐Ÿ“œ SIMILAR VOLUMES


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โœ Nakatsuji, Hiroshi ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› American Institute of Physics ๐ŸŒ English โš– 324 KB
A multireference configuration interacti
โœ Jing Ma; Shuhua Li; Wei Li ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 147 KB

## Abstract A multireference configurational interaction method based on the separated electron pair (SEP) wave functions, SEPโ€CI approach, has been developed as an approximation to the traditional CASSCF method. It differs from the CASSCF method in that active orbitals are obtained from the SEP wa