Analytic vibration-rotational matrix elements for diatomic molecules

✍ Scribed by J.P. Bouanich

• Publisher: Elsevier Science
• Year: 1987
• Tongue: English
• Weight: 754 KB
• Volume: 47
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/0010-4655(87)90112-3

✦ Synopsis

Nature of physical problem

The vibration-rotational matrix elements for infrared or Raversity of Belfast, N. Ireland (see application form in this man transitions aJ -~v'J' of diatomic molecules are calculated issue)

for powers of the reduced displacement X from parameters of the Dunham potential-energy function.

Computer for which the program is designed and others on which it is operable: any computer having a FORTRAN 77 compiler

Method of solution and sufficient core Explicit expressions for the vibro-rotational matrix elements (vJ I Iv'J'), 0 ~1 ~7, have been used for all transitions

Computer: Sperry 1100/91; Installation: P.S.I. Université de vJ -~v'J' with 0 ~v' -v ~7. These expressions were obtained