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Blanes S, Casas F, Murua A. Symplectic time-average propagators for the Schrödinger equation with a time-dependent Hamiltonian. J Chem Phys. 2017;146(11):114109doi: 10.1063/1.4978410.
Blanes, S., Casas, F., & Murua, A. (2017). Symplectic time-average propagators for the Schrödinger equation with a time-dependent Hamiltonian. The Journal of chemical physics, 146(11), 114109. https://doi.org/10.1063/1.4978410
Blanes, Sergio, et al. "Symplectic time-average propagators for the Schrödinger equation with a time-dependent Hamiltonian." The Journal of chemical physics vol. 146,11 (2017): 114109. doi: https://doi.org/10.1063/1.4978410
Blanes S, Casas F, Murua A. Symplectic time-average propagators for the Schrödinger equation with a time-dependent Hamiltonian. J Chem Phys. 2017 Mar 21;146(11):114109. doi: 10.1063/1.4978410. PMID: 28330361.
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J Chem Phys. 2017 Mar 21;146(11):114109. doi: 10.1063/1.4978410.

Symplectic time-average propagators for the Schrödinger equation with a time-dependent Hamiltonian.

The Journal of chemical physics

Sergio Blanes, Fernando Casas, Ander Murua

Affiliations

  1. Instituto de Matemática Multidisciplinar, Universitat Politècnica de València, E-46022 Valencia, Spain.
  2. Departament de Matemàtiques and IMAC, Universitat Jaume I, E-12071 Castellón, Spain.
  3. Konputazio Zientziak eta Adimen Artifiziala Saila, Informatika Fakultatea, EHU/UPV, Donostia/San Sebastián, Spain.

PMID: 28330361 DOI: 10.1063/1.4978410

Abstract

Several symplectic splitting methods of orders four and six are presented for the step-by-step time numerical integration of the Schrödinger equation when the Hamiltonian is a general explicitly time-dependent real operator. They involve linear combinations of the Hamiltonian evaluated at some intermediate points. We provide the algorithm and the coefficients of the methods, as well as some numerical examples showing their superior performance with respect to other available schemes.

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