Excited states by quantum Monte Carlo methods: Imaginary time evolution with projection operators
- 1 March 1997
- journal article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 55 (3) , 3664-3675
- https://doi.org/10.1103/physreve.55.3664
Abstract
We present a Monte Carlo algorithm suitable for the calculation of excited state energies of multidimensional quantum systems. Energies are extracted from a maximum entropy analysis of the imaginary time evolution 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.Keywords
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