A two-component Kramers' restricted Hartree-Fock method (KRHF') has been developed for the polyatomic molecules with closed shell configurations. The present KRHF program utilizes the relativistic effective core potentials with spin-orbit operators at the Hartree-Fock (HF') level and produces molecu
β¦ LIBER β¦
Ab initio Hartree-Fock band structures of different lead surfaces using effective potentials
β Scribed by P. Saalfrank; P. Otto; J. Ladik
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 357 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0038-1098
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