Ab initio molecular calculations including spin-orbit coupling. I. Method and atomic tests
β Scribed by Christian Teichteil; Michel Pelissier; Fernand Spiegelmann
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 814 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab uutlo molecular orbltal calculations are reported for beryllwm and magnesmm atom complcws with water. Be . OH2 and Mg OHz, .md for speaes resultmg from mscrtlon of the metal atom(s) Into tbc water molcculc. HBeOH, HhQKltf. HBcOBeH. and HhlgOhlgH
## Abstract The molecular spinβorbit coupling operator is brought into a simplified form through a convenient choice of origin for the orbital angular momentum operator. The eigenvalue problem of the Hamiltonian that includes the spinβorbit (SOC) operator as a perturbation is solved by means of a l