Published November 1987
| Version v1
Journal article
Analytic vibration-rotational matrix elements for diatomic molecules
Description
The vibration-rotational matrix elements for infrared or Raman transitions vJ → v'J' of diatomic molecules are calculated for powers of the reduced displacement X from parameters of the Dunham potential-energy function. (orig.)
Additional details
Additional titles
- Augmented title (English)
- ROTVIBMATEL
Publishing Information
- Journal Title
- Comput. Phys. Commun.
- Journal Volume
- 47
- Journal Issue
- 2/3
- Series
- Comput. Phys. Commun.
- Journal Page Range
- 259-266
- ISSN
- 0010-4655
- CODEN
- CPHCB
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 19029506
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Computer Program Description
- Descriptors DEI
- COMPUTER CALCULATIONS; COMPUTER PROGRAM DOCUMENTATION; ELECTRONIC STRUCTURE; ENERGY-LEVEL TRANSITIONS; FORTRAN; INFRARED SPECTRA; LEGENDRE POLYNOMIALS; MATRIX ELEMENTS; MOLECULES; POTENTIAL ENERGY; POWER SERIES; R CODES; RAMAN SPECTRA; ROTATIONAL STATES; VIBRATIONAL STATES
- Descriptors DEC
- COMPUTER CODES; ENERGY; ENERGY LEVELS; EXCITED STATES; FUNCTIONS; POLYNOMIALS; PROGRAMMING LANGUAGES; SERIES EXPANSION; SPECTRA
Optional Information
- Notes
- Sperry 1100/91.