Accession Number : AD0625214

Title :   THE INTERACTION POTENTIAL SURFACE FOR H3.

Descriptive Note : Scientific rept.,

Corporate Author : UPPSALA UNIV (SWEDEN) QUANTUM CHEMISTRY GROUP

Personal Author(s) : Harris,Frank E. ; Micha,David A. ; Pohl,Herbert A.

Report Date : 15 JAN 1965

Pagination or Media Count : 17

Abstract : Calculations were made on the properties of the triatomic hydrogen, H3, system interaction using a split-shell molecular orbital wave function based on one orbital per atomic center. Several integral approximations were used to simplify computation. The results obtained refer to both the intermediate state parameters and to the interaction potential surface, especially including the transition region between short range (chemical binding) potential and long range potential. (Author)

Descriptors :   (*HYDROGEN, MOLECULAR ORBITALS), (*MOLECULAR ORBITALS, POTENTIAL THEORY), WAVE FUNCTIONS, INTEGRALS, NUMERICAL ANALYSIS, CHEMICAL BONDS, MOLECULAR ASSOCIATION, NUCLEAR STRUCTURE, SWEDEN

Subject Categories : Atomic and Molecular Physics and Spectroscopy
      Quantum Theory and Relativity

Distribution Statement : APPROVED FOR PUBLIC RELEASE