The Journal of Chemical Physics · 1986 · 130 citations · 30 references
ComputingComputational EngineeringComputational ChemistryComputational PhysicsStatistical ComputingHarmonic AnalysisMonte Carlo MethodsMonte Carlo SimulationNumerical IntegrationPath Integral FormulationTime IntegrationAveraging ConceptsDensity MatrixDensity Matrix FormulationImaginary Time FormalismPath Integral Monte CarloQuantum Propagator
The recently introduced method of partial averaging is developed into a general formalism for computing simple Cartesian path integrals. Examples of its application to both harmonic and anharmonic systems are given. For harmonic systems, where analytical results can be derived, both imaginary and complex time evolution is discussed. For two representative anharmonic systems, Monte Carlo path integral simulations of the imaginary time propagator (statistical density matrix) are presented. Connections with other Cartesian path integral techniques are stressed.
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