期刊
JOURNAL OF COMPUTATIONAL PHYSICS
卷 221, 期 1, 页码 148-157出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2006.06.006
关键词
imaginary time propagation; Schrodinger equation; Lanczos method; operator-splitting
Numerical solution of eigenvalues and eigenvectors of large matrices originating from discretization of linear and nonlinear Schrodinger equations using the imaginary time propagation (ITP) method is described. Convergence properties and accuracy of 2nd and 4th order operator-splitting methods for the ITP method are studied using numerical examples. The natural convergence of the method is further accelerated with a new dynamic time step adjustment method. The results show that the ITP method has better scaling with respect to matrix size as compared to the implicitly restarted Lanczos method. An efficient parallel implementation of the ITP method for shared memory computers is also demonstrated. (c) 2006 Elsevier Inc. All rights reserved.
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