Path integral Monte Carlo

Path integral Monte Carlo (PIMC)[1]is a quantum Monte Carlo method in the path integral formulation of quantum mechanics. The equations often are applied assuming that quantum exchange does not matter (the particles are assumed to be Boltzmann particles, not the physically realistic fermion and boson particles). The theory usually is applied to calculate thermodynamic properties such as the internal energy or free energy. As with all Monte Carlo method based approaches, a large number of points must be calculated. As more "replicas" are used to integrate the path integral, the more quantum and the less classical the result is. Because it is a statistical sampling method, PIMC takes into account all the anharmonicity, and because it is quantum, it takes into account all quantum effects (with the exception of the exchange interaction usually).[2]

References

  1. ^ Ceperley, D. M. (April 1995). "Path integrals in the theory of condensed helium". Rev. Mod. Phys. 67 (2): 279–355. Bibcode 1995RvMP...67..279C. doi:10.1103/RevModPhys.67.279. http://link.aps.org/abstract/RMP/v67/p279. 
  2. ^ Glaesemann, Kurt R.; Fried, Laurence E. (2003). "A path integral approach to molecular thermochemistry". The Journal of Chemical Physics 118 (4): 1596–1602. Bibcode 2003JChPh.118.1596G. doi:10.1063/1.1529682. ISSN 0021-9606. 

External links