On distributed Gaussian bases for simple model multidimensional vibrational problems
Authors:
- 1 January 1986
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 84 (1) , 306-317
Abstract
Distributed Gaussian bases (DGB) are defined and used to calculate eigenvalues for one and multidimensional potentials. Comparisons are made with calculations using other bases. The DGB is shown to be accurate, flexible, and efficient. In addition, the localized nature of the basis requires only very low order numerical quadrature for the evaluation of potential matrix elements.Keywords
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