EXCITED-STATES BY QUANTUM MONTE-CARLO METHODS - IMAGINARY TIME EVOLUTION WITH PROJECTION OPERATORS

Authors
BLUME D LEWERENZ M NIYAZ P WHALEY KB
Citation
D. Blume et al., EXCITED-STATES BY QUANTUM MONTE-CARLO METHODS - IMAGINARY TIME EVOLUTION WITH PROJECTION OPERATORS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 55(3), 1997, pp. 3664-3675
Citations number
54
Categorie Soggetti
Physycs, Mathematical","Phsycs, Fluid & Plasmas
Journal title
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics → ACNP
ISSN journal
1063651X
Volume
55
Issue
3
Year of publication
1997
Part
B
Pages
3664 - 3675
Database
ISI
SICI code
1063-651X(1997)55:3<3664:EBQMM->2.0.ZU;2-I
Abstract
We present a Monte Carlo algorithm suitable for the calculation of exc ited state energies of multidimensional quantum systems. Energies are extracted from a maximum entropy analysis of the imaginary time evolut ion of a state prepared by application of a projection operator on an initial wave function. The imaginary time evolution is computed with a pure diffusion Monte Carlo algorithm. The method is demonstrated on a harmonic oscillator and several Morse oscillator test problems.