Determination of vibrational level spacings of van der waals molecules from the Lennard-Jones potential

✍ Scribed by Hyung Kyu Shin

• Publisher: Elsevier Science
• Year: 1977
• Tongue: English
• Weight: 518 KB
• Volume: 47
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(77)80006-7

✦ Synopsis

An approximate cxprcssion for the eigenvalucs for van dcr Waals molecules by USC of the Lennard-Jones (I 2-6) potcntial in the WKB approximation is presented. The expression is applied to the rare. pas molecules Arz, Kr2, and XQ by fitting the potential function to the observed potential parameters. Calculated results of vibrational cneqy sp~anps for these molcculcs agree well with the cxpcrimcnt and other calculations which are based on numerical integration of the Schrijdingcr equation. l'or Xct, the energy spacing cvprcssion is used to determine the thermodynamic functions of the van der Waals bond.