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Can I read Direct CI method in restricted configuration spaces on EtoBox?
Direct CI method in restricted configuration spaces by Panin, A. I.; Sizova, O. V. is a Chemistry article available to read on EtoBox.
What is Direct CI method in restricted configuration spaces about?
A configuration interaction (CI) method in restricted CI (RCI) space obtained by imposin inequality-type restrictions on the occupancies of groups of molecular orbitals ? MOs) was studied. The direct CI approach in such space was analyzed, and some recommendations concerning practical implementation of the RCI method are given. The corresponding program has been written in FORTRAN 77 for an IBM 486 DX personal computer and has been used for electronic structure calculations on transition metal complexes using a valence MO basis with the INDO approximation.
Who reads Direct CI method in restricted configuration spaces?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Panin, A. I.; Sizova, O. V.
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)
- Published
- 1996
- Language
- EN
- Field
- Chemistry (Physical Sciences)