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Generalized propagator renormalization theory

Electron propagator theory generates a one-electron picture of electronic structure that includes electron correlation. One-electron energies may be obtained reliably for closed-shell molecules with the P3 method and more complex correlation effects can be treated with renormalized reference states and orbitals. To each electron binding energy, there corresponds a Dyson orbital that is a correlated generalization of a canonical molecular orbital. Electron propagator theory enables interpretation of precise ab initio calculations in terms of one-electron concepts. [Pg.49]


See other pages where Generalized propagator renormalization theory is mentioned: [Pg.286]    [Pg.22]    [Pg.243]    [Pg.86]    [Pg.149]   
See also in sourсe #XX -- [ Pg.338 , Pg.339 ]




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