Vibrational matrix elements of the quadrupole moment functions of H2, N2 and CO

✍ Scribed by Donald G. Truhlar

• Book ID: 104578211
• Publisher: John Wiley and Sons
• Year: 1972
• Tongue: English
• Weight: 582 KB
• Volume: 6
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560060515

✦ Synopsis

Abstract

The quadrupole moment functions (molecular quadrupole moment versus internuclear distance) have been determined by quantum mechanical calculations for H~2~ (by Kolos and Wolniewicz), N~2~ (by Wahl and Nesbet), and CO (by Nesbet). These functions are used with numerical vibrational wave functions to compute matrix elements which are useful for calculations of scattering cross sections, energy transfer rates and excitation probabilities, and infrared intensities of forbidden bands.