Published November 29, 1979 | Version v1
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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