Affiliation:
1. Department of Chemistry and Biochemistry and Department of Physics, Texas Tech University, Box 41061, Lubbock, Texas 79409-1061, USA
Abstract
A customizable, orthonormal basis for solving the multidimensional Schrödinger equation is constructed using modified Wilson–Daubechies wavelets, and a simple phase space truncation scheme. Unprecedented numerical efficiency is achieved, enabling a ten-dimensional direct calculation of nearly 600 eigenvalues to be performed. Higher dimensionalities are possible using more sophisticated linear algebra techniques. The new approach is ideally suited to rovibrational spectroscopy applications, but can be used in any context where elliptic partial differential equations are involved.
Publisher
World Scientific Pub Co Pte Lt
Subject
Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications
Cited by
72 articles.
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