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Spinors self-consistent field theory

Malli, G.L. Thirty years of relativistic self-consistent field theory for molecules Relativistic and electron correlation effects for atomic and molecular systems of transactinide superheavy elements up to ekaplutonium E126 with g-atomic spinors in the ground state configuration. Theor. Chem. Ace. 118, 473 82 (2007)... [Pg.237]

We can also formulate this in a different manner and say that the self-consistent field procedure plays a crucial role in 4-component theory because it serves to define the spinors that isolate the n-electron subspaces from the rest of the Fock space. In this manner it determines in effect the precise form of the electron-electron interaction used in the calculations. Both aspects are a consequence of the renormalization procedure that was followed when fixing the energy scale and interpretation of the vacuum. The experience with different realizations of the no-pair procedure has learned that the differences in calculated chemical properties (that depend on energy differences and not on absolute energies) are usually small and that other sources of errors (truncation errors in the basis set expansion, approximations in the evaluation of the integrals) prevail in actual calculations. [Pg.302]


See other pages where Spinors self-consistent field theory is mentioned: [Pg.108]    [Pg.353]    [Pg.18]    [Pg.23]    [Pg.635]    [Pg.334]    [Pg.360]    [Pg.364]    [Pg.23]    [Pg.327]    [Pg.185]   
See also in sourсe #XX -- [ Pg.156 ]




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