Calculating expectations with time-dependent perturbations in quantum Monte Carlo | Zendy

M. H. Kalos | Zendy; F. Arias de Saavedra | Zendy

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Calculating expectations with time-dependent perturbations in quantum Monte Carlo

Author(s) -

M. H. Kalos,

F. Arias de Saavedra

Publication year - 2004

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1783151

Subject(s) - quantum monte carlo , monte carlo method , harmonic oscillator , hamiltonian (control theory) , statistical physics , diffusion monte carlo , quantum , imaginary time , monte carlo method in statistical physics , physics , perturbation (astronomy) , monte carlo molecular modeling , hybrid monte carlo , helium atom , quantum mechanics , mathematics , helium , mathematical optimization , quantum dynamics , markov chain monte carlo , statistics , supersymmetric quantum mechanics

We show that a small perturbation periodic in imaginary time can be used to compute expectation values of nondifferential operators that do not commute with the Hamiltonian within the framework of quantum diffusion Monte Carlo. Some results for the harmonic oscillator and the helium atom are presented showing the validity of the proposed method.

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