Published November 29, 1979
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Algorithms and FORTRAN programs to calculate classical collision integrals for realistic intermolecular potentials
Description
Numerical methods and computer programs are given to evaluate, for an arbitrary intermolecular potential, the classical transport collision integrals which appear in the kinetic theory of dilute gases. The method of Gaussian quadrature was employed to integrate the triple integral. A detailed discussion is given of the mathematics necessary to determine the boundaries of the individual integrations as well as a detailed analysis of errors introduced by the numerical procedures. Results for a recently published helium potential, the HFDHE2, are given. 5 references
Availability note (English)
MF available from INIS under the Report Number; Available from NTIS., PC A03/MF A01.
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Additional details
Additional titles
- Augmented title (English)
- Classical transport integrals; SCAN; Coll
Publishing Information
- Imprint Pagination
- 45 p.
- Report number
- MLM--2661
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 11519039
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ALGORITHMS; BOUNDARY CONDITIONS; C CODES; COLLISION INTEGRALS; ERRORS; FORTRAN; GAUSS FUNCTION; HELIUM; INTERMOLECULAR FORCES; S CODES; TRANSPORT THEORY
- Descriptors DEC
- COMPUTER CODES; ELEMENTS; FUNCTIONS; INTEGRALS; NONMETALS; PROGRAMMING LANGUAGES; RARE GASES