spectroscopy.f90 File Reference

Modules
module	spectroscopy
	This is a module that contains the necessary variables, subroutines and functions to perform linear (and soon nonlinear) spectroscopy calculations.

Functions/Subroutines
subroutine	spectroscopy::initialize_spectroscopy
	Allocate the necessary arrays for performing a spectroscopy calculation and read input from dipole.in. More...
subroutine	spectroscopy::finalize_spectroscopy
	Deallocate the arrays from spectroscopy calculation. More...
complex(dp) function, dimension(nstate, nstate)	spectroscopy::dipole_operator (redmat)
	Function to act dipole operator on the reduced density matrix from the left. More...
complex(dp) function, dimension(nstate, nstate)	spectroscopy::dipole_commutator (redmat)
	Function to act dipole commutator on the reduced density matrix from the left. More...
complex(dp) function, dimension(0 :nbstep/dump)	spectroscopy::system_trace (redmat)
	Function to find the linear response function for calculation of the absorption spectrum. More...
subroutine	spectroscopy::dipole_focus (x, p, xt, pt, weight, k_sign)
	Subroutine that applies the dipole commutator the current reduced density matrix and then performs the focusing procedure on the resulting matrix to use as the sole initially-occupied states for subsequent propagation. More...
complex(dp) function, dimension(8)	spectroscopy::nonlinear_response (x, p, xt, pt, wt, k1, k2, k3)
	Function that uses the sign of incoming wavevectors along with the current mapping variable values to calculate the different contributions to the total 3rd order nonlinear response function. More...