High algebraic order explicit methods with reduced phase-lag for an efficient solution of the Schrodinger equation

Authors
Citation
Te. Simos, High algebraic order explicit methods with reduced phase-lag for an efficient solution of the Schrodinger equation, INT J QUANT, 73(6), 1999, pp. 479-496
Citations number
30
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
73
Issue
6
Year of publication
1999
Pages
479 - 496
Database
ISI
SICI code
0020-7608(19990705)73:6<479:HAOEMW>2.0.ZU;2-3
Abstract
A family of new hybrid explicit four-step tenth algebraic order methods wit h phase lag of order 18(2)26 is developed for efficient computations of the Schrodinger equation. Based on these new methods, a new embedded variable- step method is obtained. Numerical results produced for the numerical solut ion of the coupled equations arising from the Schrodinger equation show tha t the new method is better than other variable-step methods. (C) 1999 John Wiley & Sons, Inc.