excited_states.F90 File Reference

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Modules
module	excited_states_oct_m

Data Types
interface	excited_states_oct_m::dstates_elec_mpdotp
interface	excited_states_oct_m::zstates_elec_mpdotp
interface	excited_states_oct_m::dstates_elec_mpmatrixelement
interface	excited_states_oct_m::zstates_elec_mpmatrixelement
type	excited_states_oct_m::states_pair_t
type	excited_states_oct_m::excited_states_t

Functions/Subroutines
subroutine, public	excited_states_oct_m::excited_states_init (excited_state, ground_state, filename, namespace)
	Fills in an excited_state structure, by reading a file called "filename". This file describes the "promotions" from occupied to unoccupied levels that change the initial Slater determinant structure specified in ground_state. These promotions are a set of electron-hole pairs. The structure of the file is thus four columns: More...
subroutine, public	excited_states_oct_m::excited_states_kill (excited_state)
	Kills an excited_state structure. More...
subroutine, public	excited_states_oct_m::excited_states_output (excited_state, dirname, namespace)
logical function	excited_states_oct_m::pair_is_eq (pair1, pair2)
real(real64) function	excited_states_oct_m::dstates_elec_mpdotp_x (namespace, mesh, excited_state, st, mat)
	Returns the dot product of two many-body states; the first one is an "excited_state". More...
subroutine, public	excited_states_oct_m::dstates_elec_matrix_swap (mat, pair)
	The matrix mat should contain the dot products between two states. One of them (the one operating on the left) is an excited state. The pair_t pair indicates the substitution of one the occupied spin-orbitals by one unoccupied one (electron-hole excitation). This routine returns then the matrix that would correspond to the dot products between this excited state (on the left) and the same ground state (on the right) More...
real(real64) function	excited_states_oct_m::dstates_elec_mpmatrixelement_g (namespace, mesh, st1, st2, opst2)
	Returns <st1 | O | st2>, where both st1 and st2 are Slater determinants represented by states_elec_t st1 and st2. O is a one-body operator. More...
real(real64) function	excited_states_oct_m::dstates_elec_mpdotp_g (namespace, mesh, st1, st2, mat)
	Returns the dot product of two many-body states st1 and st2. More...
complex(real64) function	excited_states_oct_m::zstates_elec_mpdotp_x (namespace, mesh, excited_state, st, mat)
	Returns the dot product of two many-body states; the first one is an "excited_state". More...
subroutine, public	excited_states_oct_m::zstates_elec_matrix_swap (mat, pair)
	The matrix mat should contain the dot products between two states. One of them (the one operating on the left) is an excited state. The pair_t pair indicates the substitution of one the occupied spin-orbitals by one unoccupied one (electron-hole excitation). This routine returns then the matrix that would correspond to the dot products between this excited state (on the left) and the same ground state (on the right) More...
complex(real64) function	excited_states_oct_m::zstates_elec_mpmatrixelement_g (namespace, mesh, st1, st2, opst2)
	Returns <st1 | O | st2>, where both st1 and st2 are Slater determinants represented by states_elec_t st1 and st2. O is a one-body operator. More...
complex(real64) function	excited_states_oct_m::zstates_elec_mpdotp_g (namespace, mesh, st1, st2, mat)
	Returns the dot product of two many-body states st1 and st2. More...