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Dirac-Fock Desclaux code

P. IndeRcato, E. lindroth, J. P. Desclaux. Nonrelativistic limit of Dirac-Fock codes The role of BriHouin configurations. Phys. Reo. Lett, 94 (2005) 013002. [Pg.693]

Desclaux has developed a numerical Dirac-Fock code for atoms which can be used to obtain relativistic numerical allelectron four-component spinor wavefunctions for any atom in the periodic table. The relativistic four-component wave-functions for all the atomic orbitals could then be used for the construction of pseudo-orbitals and relativistic effective core potentials. The resulting relativistic potentials would also have four component spinor forms. [Pg.2473]


See other pages where Dirac-Fock Desclaux code is mentioned: [Pg.943]    [Pg.216]    [Pg.68]    [Pg.232]    [Pg.6]    [Pg.116]    [Pg.612]   
See also in sourсe #XX -- [ Pg.157 ]




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