Path integral calculation for asymmetric double-well potential : cumulant , Debye − Waller factor and chemical reaction

Path integral effective potential method is applied to symmetric and asymmetric double-well potential systems. We calculate the temperature dependence of 2nd, 3rd and 4th order cumulants, which are useful to study vibrational effects in various spectroscopic techniques. We evaluate the Debye–Waller factors in EXAFS, EELFS and XPD and discuss the… CONTINUE READING