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Perturbation energy expansions based on two-component relativistic Hamiltonians

✍ Scribed by Dage Sundholm


Book ID
105885588
Publisher
Springer
Year
2003
Tongue
English
Weight
308 KB
Volume
110
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES


Nonsingular two/one-component relativist
✍ Maria Barysz; Andrzej J. Sadlej; Jaap G. Snijders πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 214 KB

A series of nonsingular two-component relativistic Hamiltonians is derived from the Dirac Hamiltonian by first performing the free-particle Foldy᎐Wouthuysen transformation and then a block-diagonalizing transformation. The latter is defined in terms of operators which can be determined iteratively t

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✍ Ephraim Eliav (Ilyabaev); Uzi Kaldor; Yasuyuki Ishikawa πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 539 KB

A relativistic Foclc-space coupled cluster theory based on the Dirac-Coulomb-Breit wavefunctions has been developed and implemented, employing analytic basis sets of Gaussian-type functions. Relativistic all-order calculations including single and double excitations were performed for the ground sta