Direct solution of the Schrödinger equation by a parallel genetic algorithm: Cases of an exactly solvable 2‐D interacting oscillator and the hydrogen atom | Zendy

Saha Rajendra | Zendy; Bhattacharyya S. P. | Zendy; Taylor Christopher D. | Zendy; Zhao Yong | Zendy; Cundari Thomas R. | Zendy

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Direct solution of the Schrödinger equation by a parallel genetic algorithm: Cases of an exactly solvable 2‐D interacting oscillator and the hydrogen atom

Author(s) -

Saha Rajendra,

Bhattacharyya S. P.,

Taylor Christopher D.,

Zhao Yong,

Cundari Thomas R.

Publication year - 2003

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/qua.10685

Subject(s) - schrödinger equation , hydrogen atom , wave function , quantum , quadrature (astronomy) , fourier transform , atom (system on chip) , kinetic energy , physics , mathematics , quantum mechanics , computer science , optics , parallel computing , group (periodic table)

The Schrödinger equation for an exactly solvable 2‐D interacting oscillator problem is solved numerically by application of a parallel genetic algorithm on a fixed coordinate grid ( n × n ). The critical energy evaluation step for the wave function strings is parallelized. A fast Fourier transform is used for computing the kinetic energy while the potential energy is obtained by quadrature. Comparison with the exact result indicates viability of the method. As a second case, the hydrogen atom problem is solved by the same method. Parallel performance of the code is also assessed. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 94: 243–250, 2003

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