Article ID Journal Published Year Pages File Type
5383910 Chemical Physics Letters 2011 6 Pages PDF
Abstract
► Vibrational Schrödinger equation (SE) solved with a small adaptable basis. ► Energies, wavefunctions found from a rectangular collocation matrix equation. ► Performance of rectangular and squared matrix methods compared. ► Rectangular approach outperforms square with small, incomplete bases. ► Rectangular approach enables fitting of energy, basis parameters to SE.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
On the advantages of a rectangular matrix collocation equation for computing vibrational spectra from small basis sets
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