Anharmonic correction factor for vibrational sum of states

✍ Scribed by L.-K. Huy; W. Forst; Z. Prášil

• Publisher: Elsevier Science
• Year: 1971
• Tongue: English
• Weight: 257 KB
• Volume: 9
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(71)80274-9

✦ Synopsis

A ;small molecule' model is used to demonstrate, by comperison with the exact result, that the method of steepest descents yields an excellent approximation to the sum of states for a collection of independent Morse oscillators.

It is then shove that the anharmonicity correction factor due to Haarhoff is grossly inaccurate at high energies.