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Basis Expansion Leaping: A New Method to Solve the Time-Dependent Schrödinger Equation for Molecular Quantum Dynamics

✍ Scribed by Koch, Werner; Frankcombe, Terry J.

Book ID
124072844
Publisher
The American Physical Society
Year
2013
Tongue
English
Weight
525 KB
Volume
110
Category
Article
ISSN
0031-9007

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The eigenvalue problem of the time-independent Schrodinger equation is solved as usual by expanding the eigenfunctions in terms of a basis set. However, the wave-function Ž . expansion coefficients WECs , which are certain matrix elements of the wave operator, are determined by an iterative method.