FREQUENCY-DEPENDENT POLARIZABILITIES AND VANDERWAALS COEFFICIENTS OF HALF-OPEN-SHELL SYSTEMS IN THE TIME-DEPENDENT COUPLED HARTREE-FOCK APPROXIMATION

In this paper we present a derivation of time-dependent coupled Hartree-Fock (TDCHF) theory for the case of half-open shells. With this method frequency-dependent polarizabilities are calculated for the hydrogen and nitrogen atom, as well as for the diatomics CN, NH, and OH+. van der Waals coefficients of the half-open-shell systems with the H atom and the H 2 molecule are computed. Other dispersion coefficients for dimers consisting of these monomers are available upon request. © 1990 American Institute of Physics.