Accession Number : AD0625500

Title :   INTERACTION OF THREE HYDROGEN ATOMS.

Descriptive Note : Final technical rept.,

Corporate Author : FREIE UNIV BERLIN (GERMANY F R) INST FUER THEORETISCHE PHYSIK

Personal Author(s) : Wrzesinsky, R. G.

Report Date : 01 FEB 1965

Pagination or Media Count : 131

Abstract : By using the valence bond method, the two lowest energy terms and the corresponding eigenfunctions of the system of three hydrogen atoms are calculated. The intention is to give a general survey about the global structure of the energy surfaces using a simple calculating procedure, rather than to calculate the terms with great accuracy confined to a few simple constellations. The coupling coefficients are calculated for the nonadiabatic motion of the nuclei confining the nuclei forming an equilateral triangle to the neighborhood of the constellation. For an investigation of the non-adiabatic H2-H scattering problem this constellation might be of particular interest because the energy surfaces are degenerated in the equilateral triangle giving a strong contribution to the coupling effect.

Descriptors :   *HYDROGEN, ATOMIC PROPERTIES, EIGENVECTORS, NUCLEI, VALENCE, REACTION KINETICS, ATOMS, MOLECULES.

Subject Categories : Inorganic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE