Two computer programs for solving the Schrödinger equation for bound-state eigenvalues and eigenfunctions using the Fourier grid Hamiltonian method

Main Author: CPC, Mendeley
Other Authors: Balint-Kurti, Gabriel G., Ward, Christopher L., Clay Marston, C.
Format: Dataset
Terbitan: Mendeley , 1991
Subjects:
Online Access: https:/data.mendeley.com/datasets/pt4pjww8nf
ctrlnum 0.17632-pt4pjww8nf.1
fullrecord <?xml version="1.0"?> <dc><creator>CPC, Mendeley</creator><title>Two computer programs for solving the Schr&#xF6;dinger equation for bound-state eigenvalues and eigenfunctions using the Fourier grid Hamiltonian method </title><publisher>Mendeley</publisher><description>Abstract Two computer programs (FGHEVEN and FGHFFT) for solving the one-dimensional Schr&#xF6;dinger equation for bound-state eigenvalues and eigenfunctions are presented. Both computer programs are based on the Fourier grid Hamiltonian method (J. Chem. Phys. 91 (1989) 3571). The method is exceptionally simple and robust. It relies on using the momentum representation for the kinetic energy operator and the coordinate representation for the potential energy. The first computer program (FGHEVEN) is based on... Title of program: FGHEVEN Catalogue Id: ACBP_v1_0 Nature of problem The program solves the one dimensional Schrodinger equation numerically to any desired degree of accuracy. The solutions are needed in molecular spectroscopy, molecular scattering theory and photodissociat- ion theory. They may also be used as a component of a more extensive code for solving the Schrodinger equation in more than one dimension. Versions of this program held in the CPC repository in Mendeley Data acbp_v1_0; FGHEVEN; 10.1016/0010-4655(91)90023-E This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)</description><subject>Computational Physics</subject><subject>Computational Method</subject><contributor>Balint-Kurti, Gabriel G.</contributor><contributor>Ward, Christopher L.</contributor><contributor>Clay Marston, C.</contributor><type>Other:Dataset</type><identifier>10.17632/pt4pjww8nf.1</identifier><rights>Computer Physics Communications Journal Licence</rights><rights>https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/</rights><relation>https:/data.mendeley.com/datasets/pt4pjww8nf</relation><date>1991-01-01T12:00:00Z</date><recordID>0.17632-pt4pjww8nf.1</recordID></dc>
format Other:Dataset
Other
author CPC, Mendeley
author2 Balint-Kurti, Gabriel G.
Ward, Christopher L.
Clay Marston, C.
title Two computer programs for solving the Schrödinger equation for bound-state eigenvalues and eigenfunctions using the Fourier grid Hamiltonian method
publisher Mendeley
publishDate 1991
topic Computational Physics
Computational Method
url https:/data.mendeley.com/datasets/pt4pjww8nf
contents Abstract Two computer programs (FGHEVEN and FGHFFT) for solving the one-dimensional Schrödinger equation for bound-state eigenvalues and eigenfunctions are presented. Both computer programs are based on the Fourier grid Hamiltonian method (J. Chem. Phys. 91 (1989) 3571). The method is exceptionally simple and robust. It relies on using the momentum representation for the kinetic energy operator and the coordinate representation for the potential energy. The first computer program (FGHEVEN) is based on... Title of program: FGHEVEN Catalogue Id: ACBP_v1_0 Nature of problem The program solves the one dimensional Schrodinger equation numerically to any desired degree of accuracy. The solutions are needed in molecular spectroscopy, molecular scattering theory and photodissociat- ion theory. They may also be used as a component of a more extensive code for solving the Schrodinger equation in more than one dimension. Versions of this program held in the CPC repository in Mendeley Data acbp_v1_0; FGHEVEN; 10.1016/0010-4655(91)90023-E This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
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institution Universitas Islam Indragiri
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first_indexed 2020-04-08T08:30:32Z
last_indexed 2020-04-08T08:30:32Z
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