Jj. Morales, PATH-INTEGRAL THEORY - AN IMPROVED SIMULATION FOR THE FORCES IN SEMICLASSIC SYSTEMS, Journal of computational chemistry, 14(6), 1993, pp. 728-735
A method is proposed for calculating the forces in path integral theor
y and tested on semiclassic systems. It takes the range of the classic
and quantum interactions into account and uses a second table within
the neighbors table for the nearest neighbors. This method is found to
be much more efficient than either the standard direct method or the
traditional neighbors table, the efficiency increasing with the size o
f the system. The method can also be applied to clusters whose interac
tion centers are much farther apart than the distances between two con
secutive members of the cluster.