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Recent Development of Relativistic Molecular Theory

✍ Scribed by Takahito Nakajima; Kimihiko Hirao

Book ID
106213527
Publisher
Springer Vienna
Year
2005
Tongue
English
Weight
181 KB
Volume
136
Category
Article
ISSN
0026-9247

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The direct adjustment of two-component pseudopotentials (scalar-relativistic + spin-orbit potentials), to atomic total energy valence spectra derived from four-component multiconfiguration Dirac-Hartree-Fock all-electron calculations based on the Dirac-Coulomb-Breit Hamiltonian, has been made a rout