HArtree-fock lattice constant and bulk modulus of diamond
β Scribed by G. T. Surratt; R. N. Euwema; D. L. Wilhite
- Book ID
- 104578439
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 219 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
## Abstract A method is described for calculating cohesive energies of solids in the singleβdeterminant approximation including the full HartreeβFock exchange. The method involves (__1__) the construction of a rapidly convergent series in vectors of the direct and reciprocal lattice for the Fock ma
Expressions for the diamagnetic part of the Cotton-Mouton constant and the hyperpolarizability of helium are obtained within the coupled Hartree-Fock approximation; they involve solutions of integro-differential equations which are solved numerically in a calculation of these properties. An earlier