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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section05


166. TDHF: Time-Dependent Hartree-Fock Calculations in the Pariser-Parr-Pople Model

by Paul Jorgensen, Kemisk Institut, Aarhus University, Denmark

Calculating excitation energies and oscillator strengths (both in dipole length and velocity approximation) in p-electron systems in the time- dependent Hartree-Fock approximation and in the configuration interaction approximation where only mono-excited configurations are considered.

FORTRAN IV Lines of Code: 559 Recommended Citation: P. Jorgensen, QCPE 11, 166 (1970).


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