Coupled cluster prediction of vibrational band intensities for SiF2 and PF2+

Abstract

Articles you may be interested inMULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO+(H2O) cluster using accurate potential energy and dipole moment surfaces Communication: Convergence of anharmonic infrared intensities of hydrogen fluoride in traditional and explicitly correlated coupled cluster calculations J. Chem. Phys. 135, 131103 (2011); 10.1063/1.3647566Si H 2 Cl 2 : Ab initio anharmonic force field, dipole moments, and infrared vibrational transitionsThe stretching vibrational overtone spectra of PH 3 : Local mode vibrational analysis, dipole moment surfaces from density functional theory and band intensities