Abstract
Eigenfunctions and eigenvalues of the Schrodinger 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 Hénon-Heiles system and weakly bound states of He on a Pt surface.
Original language | English |
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Pages (from-to) | 223-230 |
Number of pages | 8 |
Journal | Chemical Physics Letters |
Volume | 127 |
Issue number | 3 |
DOIs | |
State | Published - 13 Jun 1986 |