Path integral formulation
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External links
- Density matrices and path integrals computer code on SMAC-wiki.
General Reading
Reviews
- R. P. Feynman and A. R. Hibbs, Path-integrals and Quantum Mechanics (McGraw-Hill, New York, 1965) ISBN 0-07-020650-3
- R. P. Feynman, Statistical Mechanics (Benjamin, Reading, Mass., 1972)
- David Chandler and Peter G. Wolynes "Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids", Journal of Chemical Physics 74 pp. 4078-4095 (1981)
- B. J. Berne and D. Thirumalai "On the Simulation of Quantum Systems: Path Integral Methods", Annual Review of Physical Chemistry 37 pp. 401-424 (1986)
- D. M. Ceperley "Path integrals in the theory of condensed helium", Reviews of Modern Physics 67 279 - 355 (1995)
- Charusita Chakravarty "Path integral simulations of atomic and molecular systems", International Reviews in Physical Chemistry 16 pp. 421-444 (1997)
Applications
Phase transitions, quantum dynamics, centroids etc.
- J. R. Melrose and K. Singer "An investigation of supercooled Lennard-Jones argon by quantum mechanical and classical Monte Carlo simulation", Molecular Physics 66 1203-1214 (1989)
- Jianshu Cao and Gregory A. Voth "The formulation of quantum statistical mechanics based on the Feynman path centroid density. I. Equilibrium properties", Journal of Chemical Physics 100 pp. 5093-5105 (1994)
- Jianshu Cao and Gregory A. Voth "Semiclassical approximations to quantum dynamical time correlation functions", Journal of Chemical Physics 104 pp. 273-285 (1996)
- Rafael Ramírez and Telesforo López-Ciudad "The Schrödinger formulation of the Feynman path centroid density", Journal of Chemical Physics 111 pp. 3339-3348 (1999)
- C. Chakravarty and R. M. Lynden-Bell "Landau free energy curves for melting of quantum solids", Journal of Chemical Physics 113 pp. 9239-9247 (2000)