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Allowance for electron correlation in calculations of the magnetic properties of molecules by variation of the vector potential

✍ Scribed by R. I. Sharibdzhanov; T. K. Rebane

Publisher
SP MAIK Nauka/Interperiodica
Year
1984
Tongue
English
Weight
499 KB
Volume
25
Category
Article
ISSN
0022-4766

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Calculation of magnetic properties of HF, H2O, NH3, and CH4 molecules using a longitudinal gauge for the vector potential
✍ M. B. Ferraro; M. C. Caputo; M. P. BΓ©ccar Varela; P. Lazzeretti πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 199 KB πŸ‘ 2 views

A transformation of the transverse Coulomb vector potential was implemented to calculate molecular magnetic properties via the random-phase Ε½ . approximation RPA within the framework of a ''longitudinal gauge.'' In this gauge, the diamagnetic contribution to magnetic susceptibility is a tensor with