Accession Number : AD0705110

Title :   SEMIEMPIRICAL AND APPROXIMATE METHODS FOR MOLECULAR CALCULATIONS - BIBLIOGRAPHY AND KWIC INDEX,

Corporate Author : GEORGETOWN UNIV WASHINGTON D C

Personal Author(s) : Henderson,George A. ; Frattali,Sandra

Report Date : 01 DEC 1969

Pagination or Media Count : 293

Abstract : In recent years a great many calculations on vibrational energy transfer have appeared in the literature. Since most of the calculations have been done for a one-dimensional atom-diatom exponential interaction, a large amount of data has accumulated that is easy to categorize. In the present compilation, therefore, we limit ourselves to these calculations. Specifically, only those results are included that refer to the system A---B - C with an exponential interaction between A and B and a harmonic interaction between B and C. This problem can be completely specified with the incident relative energy of A and B - C, a potential parameter, and a single mass parameter defined in the text. Collisional transition probabilities are tabulated as a function of these three parameters and the oscillator quantum numbers. (Author)

Descriptors :   (*ATOMS, INTERACTIONS), (*BIBLIOGRAPHIES, MOLECULAR ENERGY LEVELS), INDEXES, VIBRATION, MOLECULAR ORBITALS

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE