Density functional theory of the chemical potential of atoms and its relation to electrostatic potentials and bonding distances
✍ Scribed by L. C. Balbás; J. A. Alonso; L. A. Vega
- Book ID
- 112538088
- Publisher
- Springer
- Year
- 1986
- Tongue
- English
- Weight
- 505 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1434-6060
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Using the optimized effective potential method in conjunction with the semianalytical approximation due to Krieger, Li, and Iafrate, we performed fully selfconsistent exact exchange-only density functional calculations for diatomic molecules with a fully numerical basis-set-free molecular code. The
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