MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE-FOCK CALCULATION OF VERTICAL EXCITATION-ENERGIES AND TRANSITION MOMENTS OF O2 Academic Article

abstract

• Excitation energies and oscillator strengths in the multiconfigurational timedependent HartreeFock (MCTDHF) approximation are presented for the O2 molecule. Variations of excitation energies with respect to the diffuse character of the basis set are examined. The equivalence between oscillator strengths calculated in the dipole length and dipole velocity approximation in the MCTDHF approximation is investigated. Copyright 1980 John Wiley & Sons, Inc.

authors

• Yeager, Danny

published proceedings

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

author list (cited authors)

• ALBERTSEN, P., JORGENSEN, P., & YEAGER, D. L.

citation count

• 7

complete list of authors

• ALBERTSEN, P||JORGENSEN, P||YEAGER, DL

publication date

• January 1980

publisher

• Wiley  Publisher

published in

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY  Journal

Digital Object Identifier (DOI)

• 10.1002/qua.560180827

start page

• 249

end page

• 260

volume

• 17

issue

• S14

URL

• http%3A%2F%2Fdx.doi.org%2F10.1002%2Fqua.560180827