NUMERICAL GENERATION OF OPTIMIZED DISCRETE VARIABLE REPRESENTATIONS

Authors
NETO JJS COSTA LS
Citation
Jjs. Neto et Ls. Costa, NUMERICAL GENERATION OF OPTIMIZED DISCRETE VARIABLE REPRESENTATIONS, Brazilian journal of physics, 28(1), 1998, pp. 1-11
Citations number
36
Categorie Soggetti
Physics
Journal title
Brazilian journal of physics → ACNP
ISSN journal
01039733
Volume
28
Issue
1
Year of publication
1998
Pages
1 - 11
Database
ISI
SICI code
0103-9733(1998)28:1<1:NGOODV>2.0.ZU;2-R
Abstract
We develop a procedure for calculating an optimized Discrete Variable Representation (DVR) optimized for a given potential. The method leads to an efficient and compact may to obtain numerical solutions of quan tum mechanical problems. The procedure is applied to several physical problems. To illustrate the strength of the algorithm in dealing with multidimensional calculations, me obtain accurate levels up to 19,000 cm(-1) for the vibrational energies of the water molecule.