Published September 15, 2004
| Version v1
Journal article
Calculating expectations with time-dependent perturbations in quantum Monte Carlo
Creators
- 1. Departamento de Fisica Moderna, Facultad de Ciencias, Granada E-18071 (Spain)
- 2. Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)
Description
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
Additional details
Identifiers
- DOI
- 10.1063/1.1783151;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 121
- Journal Issue
- 11
- Journal Page Range
- p. 5143-5147
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36002489
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- DIFFUSION; DISTURBANCES; HAMILTONIANS; HARMONIC OSCILLATORS; HELIUM; MONTE CARLO METHOD; TIME DEPENDENCE
- Descriptors DEC
- CALCULATION METHODS; ELEMENTS; FLUIDS; GASES; MATHEMATICAL OPERATORS; NONMETALS; QUANTUM OPERATORS; RARE GASES
Optional Information
- Notes
- (c) 2004 American Institute of Physics.