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cond-mat.mtrl-sci2008★ 46 cited
Any order imaginary time propagation method for solving the Schrodinger equation
Siu A. Chin, S. Janecek, E. Krotscheck
The eigenvalue-function pair of the 3D Schrödinger equation can be efficiently computed by use of high order, imaginary time propagators. Due to the diffusion character of the kine…
cond-mat.mtrl-sci1998★ 18 cited
A rapidly converging algorithm for solving the Kohn-Sham and related equations in electronic structure theory
J. Auer, E. Krotscheck
We describe a rapidly converging algorithm for solving the Kohn--Sham equations and equations of similar structure that appear frequently in calculations of the structure of inhomo…