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Hellmann-Feyman theorem

Finite-field methods were first used to calculate dipole polarizabilities by Cohen and Roothaan [66]. For a fixed field strength V, the Hamiltonian potential energy term for the interaction between the electric field and ith electron is just The induced dipole moment with the applied field can be calculated from the Hartree-Fock wavefunction by integrating the dipole moment operator with the one-electron density since this satisfies the Hellmann-Feyman theorem. With the usual dipole moment expansion. [Pg.64]


See other pages where Hellmann-Feyman theorem is mentioned: [Pg.515]    [Pg.218]    [Pg.515]    [Pg.218]   
See also in sourсe #XX -- [ Pg.83 ]




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