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A direct relaxation method for calculating eigenfunctions and eigenvalues of the schrödinger equation on a grid

✍ Scribed by R. Kosloff; H. Tal-Ezer

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
916 KB
Volume
127
Category
Article
ISSN
0009-2614

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✦ Synopsis

Eigenfunctions and eigenvalues of the Schrtiinger equation are determined by propagating the Schrodinger equation in imaginary time. The method is based on representing the Hamiltonian operation on a grid. The kinetic energy is calculated by the Fourier method. The propagation operator is expanded in a Chebychev series. Excited states are obtained by filtering out the lower states. Comparative examples include: eigenfunctions and eigenvalues of the Morse oscillator, the Henon-Heiles system and weakly bound states of He on a Pt surface.

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