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Relativistic Multiple Scattering Theory for Space Filling Potentials

✍ Scribed by Wang, Xindong; Zhang, X. -G.; Butler, W. H.; Harmon, B. N.; Stocks, G. M.


Book ID
118272796
Publisher
Cambridge University Press
Year
1991
Weight
313 KB
Volume
253
Category
Article
ISSN
0272-9172

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Relativistic molecular spinors by genera
✍ Bo G. Cartling; Douglas M. Whitmore πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 645 KB

## Abstract A molecular one‐electron Dirac equation is derived by variation of a total energy density functional, whereby the one‐electron energies are ascribed a physical meaning. The multiple scattering formalism for molecular systems is relativistically generalized for the determination of molec