... integral Er the reorganization energy E r 0 = E2 E1 the reaction energy change 0 the parameters of the transfer , = E2 E1 the reaction energy change 0 -the strength of the mode/medium interaction 1 f (t ) = t + ( b the parameter of Kubo ...
... Reason 1: Integration over phase space: · Integral over a high-dimensional weighted function · Reason 2: Calculation of trajectories. · analytically solvable only for E(x)=k x2 : X(t)=a sin(wt)+b cos(wt) MD principle 2 Many variations: Accurate Slow on ...
... tables of integrals that 1 + - exp(- x 2 ) dx = 1 (31) Second, we make the substitution x= eV - eVA 4 kBT (32) so that 1 + - - (eV - eVA ) 2 e2 dV = 1 exp 4 k BT 4 k BT (33) Third, we compare the constant in the equation with the constant in the integral ...
... II. Overlap Integral and General Properties of the Energy and Angular Functions of Cross Sections, Khim. Vys. ... A Successive Approximation Method for Solving a Nonlinear Volterra Integral Equation of the Second Kind, Zh. Vych. Mat. Mat. ...
... A.M.Kuznetsov, Path-integral method in the theory of the elementary act of charge transfer in polar media, Chem.Phys.Lett., ... A.M.Kuznetsov, Feynman path integrals in the theory of charge transfer in polar media, Khim.Fiz., No.11(1982)1496-1507 . ...