Time-dependent Hartree–Fock calculations in the Pariser–Parr–Pople model. Applications to aniline, azulene and pyridine

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Abstract

Propagator or Green's function methods are used to analyze the time-dependent Hartree–Fock model. The non-hermitian matrix problem for the time-dependent Hartree–Fock solution is reduced to a problem related only to hermitian matrices. Particular attention is given to the calculation of oscillator strength in different approximations. The connection between the stability of the Hartree–Fock solution and the solution of the time-dependent Hartree–Fock problem is demonstrated. The results of numerical calculations are given for aniline, azulene and pyridine.

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