Translational factor
1
Single atom
Consider an atom moving in space with velocity v=dR/dt. The object is to
solve the time dependent Schroedinger equation
i
H
t
(1)
where H is the electronic Hamiltonian
2r
H
V .
2
(2)
Assume that we know the time independent solutions n(r) at R=0 such that
Hn(r)=Enn(r).
(3)
Try a solution of the form
(4)
r , R ,t exp i E n n t f r , R ,t n r R
The relationship
(5)
2 ln ln ln 2 ln
so that
2 f f ln f ln f f 2 ln f
(6)
f ln f ln f 2 ln f ln ln ln 2 ln 2 ln f
enables us to write eqn. 1 as
ln f
En n i
iv R ln f iv R ln n r , R , t
t
(7)
1 2 ln f r ln f r ln f 2 r ln f r ln
2
V r , R , t
2 ln r ln r ln
from which we can collect the terms involving on both sides of the
equation to eliminate the potential and the En yielding.
ln f
n i
iv R ln f iv R ln n r , R , t
t
1
2 ln f r ln f r ln f 2 r ln f r ln r , R , t
2
Try the form f=exp(ik(t)r),
and note that R=-r and Rf=0
k
1
r iv r ln n r , R ,t k k i 2 k r ln r , R ,t
n
t
2
which solves the equation provided k=v=dR/dt and n=k2/2.
Thus for a single atom with a single electron moving with constant
velocity v, the electronic wave function is
2
1 dR dR
r , R ,t expi E n t exp r n r R t
2 dt dt