Efficient Splitting Methods Based on Modified Potentials: Numerical Integration of Linear Parabolic Problems and Imaginary Time Propagation of the Schrodinger Equation
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comunitat-uji-handle2:10234/7037
comunitat-uji-handle3:10234/8635
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Title
Efficient Splitting Methods Based on Modified Potentials: Numerical Integration of Linear Parabolic Problems and Imaginary Time Propagation of the Schrodinger EquationDate
2023-05Publisher
Global-Science PressBibliographic citation
Sergio Blanes, Fernando Casas, Cesáreo González & Mechthild Thalhammer. (2023). Efficient Splitting Methods Based on Modified Potentials: Numerical Integration of Linear Parabolic Problems and Imaginary Time Propagation of the Schrödinger Equation. Communications in Computational Physics. 33 (4). 937-961. doi:10.4208/cicp.OA-2022-0247Type
info:eu-repo/semantics/articleVersion
info:eu-repo/semantics/submittedVersionSubject
Abstract
We present a new family of fourth-order splitting methods with positive coefficients especially tailored for the time integration of linear parabolic problems and, in particular, for the time dependent Schrödinger ... [+]
We present a new family of fourth-order splitting methods with positive coefficients especially tailored for the time integration of linear parabolic problems and, in particular, for the time dependent Schrödinger equation, both in real and imaginary time. They are based on the use of a double commutator and a modified processor, and are more efficient than other widely used schemes found in the literature. Moreover, for certain potentials, they achieve order six. Several examples in one, two and three dimensions clearly illustrate the computational advantages of the new schemes. [-]
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Communications in Computational Physics. 33 (4). 2023Funder Name
Ministerio de Ciencia, Innovación y Universidades (Spain) | MCIN/AEI/10.13039/501100011033
Project code
PID2019- 104927GB-C21 | PID2019-104927GB-C22
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ERDF ("A way of making Europe")
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© 2023 Global Science Press
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