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High algebraic order explicit methods with reduced phase‐lag for an efficient solution of the Schrödinger equation
Author(s) -
Simos T. E.
Publication year - 1999
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1999)73:6<479::aid-qua3>3.0.co;2-a
Subject(s) - phase lag , algebraic number , computation , variable (mathematics) , mathematics , lag , order (exchange) , phase (matter) , algebraic equation , schrödinger equation , mathematical analysis , physics , computer science , quantum mechanics , algorithm , nonlinear system , computer network , finance , economics
A family of new hybrid explicit four‐step tenth algebraic order methods with phase lag of order 18(2)26 is developed for efficient computations of the Schrödinger equation. Based on these new methods, a new embedded variable‐step method is obtained. Numerical results produced for the numerical solution of the coupled equations arising from the Schrödinger equation show that the new method is better than other variable‐step methods. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 73: 479–496, 1999