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Potential energy curves of diatomic molecules from the Hill determinant method

✍ Scribed by D. A. Estrín; F. M. Fernández; E. A. Castro

Publisher
Springer
Year
1990
Tongue
English
Weight
534 KB
Volume
5
Category
Article
ISSN
0259-9791

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## Abstract Applying an extended form of the Mulliken approximation and a monopole approximation for the Coulomb integrals the Hartree‐Fock nonorthogonal energy expression is decoupled. Thus, the total energy splits into a sum of one‐electron increments. The increments are minimized directly with r