A consistent use of the spectral representation is made to develop an effective Hamiltonian for molecular calculations in which only active electrons are dealt with, keeping other electrons frozen. The effective Hamiltonian is prepared without invoking any parameter fitting and adjusting procedures.
Calculations of molecular polarizabilities using the Valence Effective Hamiltonian (VEH) method
✍ Scribed by Christian Barbier; Jean -Marie André
- Book ID
- 118289498
- Publisher
- Springer
- Year
- 1987
- Tongue
- English
- Weight
- 460 KB
- Volume
- 72
- Category
- Article
- ISSN
- 1432-2234
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