Class for calculating XRS. More...
#include <lmtrans.h>
Public Member Functions | |
lmtrans () | |
Dummy constructor. | |
lmtrans (const arma::mat &C, const BasisSet &bas, const coords_t &cen, size_t Nrad=200, int lmax=5, int lquad=30) | |
Generate expansion for given orbitals. | |
~lmtrans () | |
Destructor. | |
rad_int_t | compute_radial_integrals (size_t i, size_t f, const bessel_t &bes) const |
bessel_t | compute_bessel (double q) const |
arma::cx_mat | transition_amplitude (const rad_int_t &rad, double qx, double qy, double qz) const |
std::vector< double > | transition_velocity (size_t i, size_t f, const bessel_t &bes) const |
void | print_info () const |
Print information about orbitals. | |
void | write_prob (size_t o, const std::string &fname) const |
Write radial distribution of orbital o into file. | |
Private Member Functions | |
arma::cx_mat | radial_integral (size_t i, size_t f, int l, const bessel_t &bes) const |
Private Attributes | |
expansion_t | exp |
Orbital expansions. | |
int | lmax |
Maximum angular momentum in expansion. | |
Gaunt | gaunt |
Table of Gaunt coefficients. | |
Class for calculating XRS.
bessel_t lmtrans::compute_bessel | ( | double | q | ) | const |
Compute Bessel function stack
Compute radial integrals in itg for transition from initial state i to final state f, when momentum transfer is q.
|
private |
Compute radial integral between initial state i component (li,mi) and final state f component (lf,mf). Uses tabled Bessel function values for momentum transfer q. Returns R[li,mi][lf,mf]
arma::cx_mat lmtrans::transition_amplitude | ( | const rad_int_t & | rad, |
double | qx, | ||
double | qy, | ||
double | qz | ||
) | const |
Compute transition amplitude matrix from li component of initial state i to lf component of final state f when momentum transfer is (qx,qy,qz). Uses radial integrals from itg. Returns A(li,lf).
std::vector< double > lmtrans::transition_velocity | ( | size_t | i, |
size_t | f, | ||
const bessel_t & | bes | ||
) | const |
Compute transition velocity from initial state to final state f. Returns a vector with first element giving the total transition velocity, whereas the rest give the final state velocities as in Sakko et al.