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- W1996163073 abstract "Preliminary ‘exact’ Hartree-Fock calculations are presented for a simple-cubic atomic-hydrogen crystal. Two types of basis orbitals have been considered. Orbital parameters and lattice spacing have been roughly optimized. The Fermi surface is found to be nearly spherical. It is made plausible that the Hartree-Fock limit has been nearly reached. On présente les resultats des calculs de Hartree-Fock ‘exacts’ pour un crystal d'hydrogène atomique ayant la symétrie cubique simple. Deux exemples d'orbitales fundamentales ont été considérés. Les paramètres non-linéaires ont été optimisés approximativement. On trouve que la surface de Fermi est presque shérique. Il est montré que la limite de Hartree-Fock est presque atteinte." @default.
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- W1996163073 date "1971-09-01" @default.
- W1996163073 modified "2023-09-24" @default.
- W1996163073 title "‘Exact’ Hartree-Fock calculations for atomic-hydrogen crystal" @default.
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- W1996163073 doi "https://doi.org/10.1016/0038-1098(71)90154-2" @default.
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