Configuration interaction (CI) calculations restricted to single excitations with respect to a closed-shell ground state determinant have been performed using modified CI-Hamiltonian matrix elements. Shifted molecular-orbital (MO) eigenvalues from Kohn-Sham density functional theory (DVI') are used
β¦ LIBER β¦
Density-functional calculations for doubly excited states of He, and
β Scribed by Roy, Amlan K; Singh, Ranbir; Deb, B M
- Book ID
- 120569698
- Publisher
- Institute of Physics
- Year
- 1997
- Tongue
- English
- Weight
- 213 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0953-4075
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