ADIABATIC DYNAMICS OF AN EXCESS ELECTRON IN ARGON

In this paper we present results of adiabatic quantum molecular dynami cs (QMD) simulations of an excess electron in argon at various densiti es at a temperature of 150 K. We have studied the dynamics and propert ies of the eigenstates of the excess electron. Our simulations show, t hat the electron is delocalized at all densities. However, spurious tr apping of the electron in Ar(n) cluster can be observed if the grid on which the electron is represented is not fine enough. The mobility of the excess electron in dense argon has been studied by looking at its velocity response to a small electric field.