4.7 Article

Calculating expectations with time-dependent perturbations in quantum Monte Carlo

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JOURNAL OF CHEMICAL PHYSICS
卷 121, 期 11, 页码 5143-5147

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AMER INST PHYSICS
DOI: 10.1063/1.1783151

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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. (C) 2004 American Institute of Physics.

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