Published October 1989
| Version v1
Journal article
Orthogonal generalized Jacobi coordinates for N-body systems
Description
A FORTRAN-77 program is presented which produces generalized Jacobi vectors (GJV) for N-body systems (in this case molecules, N<15). Specifically, the program converts scalar distance-angle source coordinates to the corredsponding quantities for GJV defined in a variety of ways, in particular those ways reflecting system symmetry. (orig.)
Additional details
Additional titles
- Augmented title (English)
- CJVGEN
Publishing Information
- Journal Title
- Computer Physics Communications
- Journal Volume
- 55
- Journal Issue
- 3
- Series
- Comput. Phys. Commun.
- Journal Page Range
- 463-468
- ISSN
- 0010-4655
- CODEN
- CPHCB
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 21008378
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Resource subtype / Literary indicator
- Computer Program Description
- Descriptors DEI
- ALGORITHMS; CLASSICAL MECHANICS; COMPUTER CALCULATIONS; COMPUTER PROGRAM DOCUMENTATION; CURVILINEAR COORDINATES; EIGENVECTORS; FORTRAN; G CODES; HAMILTONIAN FUNCTION; HAMILTONIANS; IRREDUCIBLE REPRESENTATIONS; MANY-BODY PROBLEM; MATRICES; METHYLENE CHLORIDE; MOLECULAR STRUCTURE; MOLECULES; O GROUPS; QUANTUM MECHANICS; SYMMETRY
- Descriptors DEC
- COMPUTER CODES; COORDINATES; DYNAMICAL GROUPS; FUNCTIONS; LIE GROUPS; MATHEMATICAL OPERATORS; MECHANICS; ORGANIC CHLORINE COMPOUNDS; ORGANIC COMPOUNDS; ORGANIC HALOGEN COMPOUNDS; PROGRAMMING LANGUAGES; QUANTUM OPERATORS; SYMMETRY GROUPS
Optional Information
- Notes
- IBM PC/AT; FORTRAN 77.