4.1 Article

Using wavelets to extend quantum dynamics calculations to ten or more degrees of freedom

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WORLD SCIENTIFIC PUBL CO PTE LTD
DOI: 10.1142/S0219633603000380

Keywords

Schrodinger equation; weylets; rovibrational spectroscopy

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A customizable, orthonormal basis for solving the multidimensional Schrodinger 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.

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