ACCURATE EVALUATION OF QUANTUM INTEGRALS

Citation
Dc. Galant et D. Goorvitch, ACCURATE EVALUATION OF QUANTUM INTEGRALS, Journal of quantitative spectroscopy & radiative transfer, 55(1), 1996, pp. 47-52
Citations number
7
Categorie Soggetti
Spectroscopy
ISSN journal
00224073
Volume
55
Issue
1
Year of publication
1996
Pages
47 - 52
Database
ISI
SICI code
0022-4073(1996)55:1<47:AEOQI>2.0.ZU;2-I
Abstract
Combining an appropriate finite difference method with Richardson's ex trapolation results in a simple, highly accurate numerical method for solving a Schrodinger's equation. Important results are that error est imates are provided, and that one can extrapolate expectation values r ather than the wavefunctions to obtain highly accurate expectation val ues. We discuss the eigenvalues, the error growth in repeated Richards on's extrapolation, and show that: the expectation values calculated o n a crude mesh can be extrapolated to obtain expectation values of hig h accuracy.