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Spectral difference methods in bound state calculations.

Authors :
Morgan, Dean
Meijer, Anthony J. H. M.
Doyle, Richard J.
Source :
Journal of Chemical Physics; 2/28/2009, Vol. 130 Issue 8, pN.PAG, 10p, 1 Diagram, 3 Charts, 2 Graphs
Publication Year :
2009

Abstract

The use of discrete variable representations is now commonplace in chemical dynamics calculations. In this paper, we employ spectral difference methods to speed up these calculations. We present five new spectral difference weight functions and compare them with those that already exist in the literature for two different bound state problems. We find that one particular weight we propose, based on a Gaussian function, outperforms all other weights. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
130
Issue :
8
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
36780076
Full Text :
https://doi.org/10.1063/1.3080616