Circumventing the pathological behaviour of path-integral Monte Carlo for systems with Coulomb

Muser, M.H.; Berne, B.J.
July 1997
Journal of Chemical Physics;7/8/1997, Vol. 107 Issue 2, p571
Academic Journal
Analyzes the pathological behavior of the imaginary-time discretized path integral for systems interacting through Coulomb potentials and/or bounded by hard walls. Construction of an effective potential that depends on Trotter number; Treatment of Coulombic potentials by means of Monte Carlo at low Trotter numbers.


Related Articles

  • New aspects of the path integrational treatment of the Coulomb potential. Castrigiano, D. P. L.; Stärk, F. // Journal of Mathematical Physics;Dec89, Vol. 30 Issue 12, p2785 

    The well-known treatment of the path integral for the Coulomb potential, by means of the Kustaanheimo–Stiefel transformation and a time transformation, is made more transparent by reducing the problem to the equality of two measures on the space of paths. For this equality two proofs are...

  • Coulomb potential in one dimension with minimal length: A path integral approach. Nouicer, Khireddine // Journal of Mathematical Physics;Nov2007, Vol. 48 Issue 11, p112104 

    We solve the path integral in momentum space for a particle in the field of the Coulomb potential in one dimension in the framework of quantum mechanics with the minimal length given by [formula], where β is a small positive parameter. From the spectral decomposition of the fixed energy...

  • Phase space path integral of two exactly-solvable problems on circle. Bentag, B. // AIP Conference Proceedings;6/27/2012, Vol. 1444 Issue 1, p258 

    A relation between two exactly-solvable problems on a circle namely singular Coulomb and singular oscillator systems is established within the phase space path integral formalism via the delta functional method. It is shown that, by using a coordinate transformation the path integral for the...

  • Electrical transport measurements on single-walled carbon nanotubes. Nygard, J.; Cobden, D.H.; Bockrath, M.; McEuen, P.L.; Lindelof, P.E. // Applied Physics A: Materials Science & Processing;1999, Vol. 69 Issue 3, p297 

    Abstract. We review transport measurements on single walled carbon nanotubes contacted by metal electrodes. At room temperature some devices show transistor action similar to that of p-channel field effect transistors, while others behave as gate-voltage independent wires. At low temperatures...

  • The Coulomb Effects in the Dynamics of Polar Lattices. Falkovsky, L. A. // Journal of Experimental & Theoretical Physics;May2001, Vol. 92 Issue 5, p840 

    The zone-center phonon frequencies of polar lattices are calculated for uniaxial crystals proceeding from the symmetry considerations. The long-range Coulomb forces and crystal anisotropy are explicitly taken into account. The free-carrier contributions to the dielectric constant are included....

  • Two singular potentials: The space-splitting effect. Oseguera, U.; de Llano, M. // Journal of Mathematical Physics;Oct93, Vol. 34 Issue 10, p4575 

    The quantum mechanical problem of a particle moving in one dimension (1D) under the influence of a singular potential is reexamined. An attractive delta function potential of infinite strength and the 1D Coulomb potential is considered in particular. In both cases the singularity acts as an...

  • Erratum: “Calculation of the Stability Domain for Coulomb Systems” [Optics and Spectroscopy 93, 837 (2002)]. Rebane, T.K. // Optics & Spectroscopy;Jun2004, Vol. 96 Issue 6, p962 

    Presents a corrected reprint of an article on the calculation of the stability domain for Coulomb systems, previously published in "Optics and Spectroscopy".

  • A consistent treatment of clustering effects in electrolytes. Given, James A.; Stell, George // Journal of Chemical Physics;6/15/1992, Vol. 96 Issue 12, p9233 

    We use the methods of continuum percolation theory to develop a consistent, essentially analytic theory for the properties of the restricted primitive model (RPM) of electrolytes. Our preliminary results are in good agreement with simulation data for the free energy and osmotic coefficient of...

  • Relativistic point interaction with Coulomb potential in one dimension. Benvegnu, Stefan // Journal of Mathematical Physics;Feb97, Vol. 38 Issue 2, p556 

    Investigates the Dirac Hamiltonian in one space dimension under the influence of a Coulomb potential. Description of the corresponding family of all self-adjoint extensions via the boundary form; Calculation of the resolvent; Study on the spectrum; Examination of the zero mass case;...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics