@article {6413, title = {Langevin Equation Path Integral Ground State}, journal = {Journal of Physical Chemistry A}, volume = {117}, year = {2013}, pages = {7461}, abstract = {

We propose a Langevin equation path integral ground state (LePIGS) approach for the calculation of ground state (zero temperature) properties of molecular systems. The approach is based on a modification of the finite temperature path integral Langevin equation (PILE) method (J. Chem. Phys.2010,\ 133, 124104) to the case of open Feynman paths. Such open paths are necessary for a ground state formulation. We illustrate the applicability of the method using model systems and the weakly bound water{\textendash}parahydrogen dimer. We show that the method can lead to converged zero point energies and structural properties.

}, author = {Steve Constable and Matthew Schmidt and Christopher Ing and Tao Zeng and Pierre-Nicholas Roy} }