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Spinor relaxation

To summarise, the pure valence correlation (double excitations) tends to lower the spin-orbit splitting while the valence spinors relaxation (single excitations) tends to increase the splitting. Concerning the role of the core orbitals, the whole core polarisation, core-core and core-valence correlations taken into account via a semi-empirical CPP tend to enhance this splitting. ... [Pg.493]

The optimization with respect to the spinors can be accomplished by obeying the minimax principle, and positronic energy states are allowed to relax in this correlation method (as in Dirac-Hartree-Fock-Roothaan calculations)... [Pg.430]

See other pages where Spinor relaxation is mentioned: [Pg.492]    [Pg.215]    [Pg.492]    [Pg.215]    [Pg.5]    [Pg.248]    [Pg.326]    [Pg.365]    [Pg.493]    [Pg.494]    [Pg.496]    [Pg.542]    [Pg.59]    [Pg.270]    [Pg.316]    [Pg.216]    [Pg.279]   
See also in sourсe #XX -- [ Pg.492 ]



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