Reliable isotropic dipole properties and dispersion energy coefficients for CCl4

Abstract

Dipole oscillator strength distributions (DOSD) have been constructed for ground state CCl4 molecule, by using constrained least-squares methods, experimental and mixture rule dipole oscillator strength data, and refractive index measurements. A recommended isotropic DOSD is used to evaluate a wide variety of dipole oscillator strength sums SK, logarithmic dipole sums LK and mean excitation energies IK. Pseudo-DOSDs have been constructed for CCl4 molecule and these are used to calculate isotropic dipole-dipole dispersion energy coefficients C6 for the interaction of CCl4 with itself and with 45 other species, and the triple-dipole dispersion energy coefficients C9 for (CCl4)3. © 2002 Elsevier Science B.V. All rights reserved.