The Monte Carlo solution to the diffusion equation can be written as a
function of position,
, and imaginary time,
, as
follows
where the coefficients,
, are the overlap integrals of
with the eigenfunctions of the many-body Hamiltonian,
. The DMC method relies on the fact that in the limit of
large imaginary time
is dominated by the lowest
energy solution,
.
However, in the initial short imaginary time regime, it is clear that
the above equation contains information about the energy differences,
. For example the time-dependence of the energy
estimate is given by
where the
are the overlap integrals of the guiding wavefunction,
, with the eigenfunctions of the many-body Hamiltonian,
. Therefore, if one was to compute the energy estimate as a
function of time, then standard curve fitting methods could be used to
extract the excited state energies,
. In practice
however, obtaining energies from Eq.(
) would be
extremely difficult due to the statistical noise of the Monte Carlo
simulation.
More sophisticated methods have been
devised[80, 81, 82] to
specifically measure the time dependence. Instead of the energy in
Eq.(
), consider the expectation value of the
Green's function,
which can be sampled from the random walk by evaluating
where W is the cumulative branching weight,
which is essentially the total population. If we insert a complete
set of eigenstates into Eq.(
), the time behaviour of
is
This is a simpler expression to attempt to fit than
Eq.(
). However, in practice it is still dominated
by the statistical noise[23].