Accession Number : AD0645800

Title :   LOWER BOUNDS FOR SOME POTENTIAL ENERGY CURVES OF H2 AND HE2,

Corporate Author : HARVARD UNIV CAMBRIDGE MASS MALLINCKRODT LAB

Personal Author(s) : Jennings,Philip

Report Date : 1966

Pagination or Media Count : 5

Abstract : Use was made of a 2 x 2 determinant in order to apply the method of Miller (J. Chem. Phys. v42 p4305 1965) to the calculation of the lower bounds to energy eigenvalues of the excited singlet-Sigma-G(+) states of H2 and to the two lowest singlet-Sigma-G(+) states of He2(++).

Descriptors :   (*HYDROGEN, WAVE FUNCTIONS), (*HELIUM, WAVE FUNCTIONS), (*MOLECULAR ENERGY LEVELS, *WAVE FUNCTIONS), DETERMINANTS(MATHEMATICS), MOLECULAR SPECTROSCOPY, GROUND STATE, EXCITATION, POTENTIAL ENERGY

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE