Accession Number : AD0739627

Title :   The Dimensional and Numerical Equivalence of the Space-Filling-Curve Approach and Multi-Dimensional Integration Methods for Integral-Transform Trial Functions,

Corporate Author : NATIONAL RESEARCH COUNCIL OF CANADA OTTAWA (ONTARIO) DIV OF CHEMISTRY

Personal Author(s) : Somorjai,R. L. ; Power,J. D.

Report Date : 21 OCT 1971

Pagination or Media Count : 7

Abstract : The pseudo-one-dimensional space-filling-curve approach of Rosenthal is shown to be dimensionally and numerically equivalent to explicitly multi-dimensional integration methods. However, other considerations render it computationally less attractive to apply. The importance of finding appropriate mappings onto the parameter space are stressed and demonstrated. Extremely accurate results are obtained for the S-limits of H(-) and He, as well as for the exact He ground state, with low-order secular determinants and a single scale parameter. (Author)

Descriptors :   (*ATOMIC ORBITALS, WAVE FUNCTIONS), INTEGRAL TRANSFORMS, NUMERICAL INTEGRATION, NUMERICAL ANALYSIS, HYDROGEN, HELIUM, GROUND STATE, CANADA

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE