18 #ifndef ERKALE_LMTRANS
19 #define ERKALE_LMTRANS
21 #include "../global.h"
25 #include "../lmgrid.h"
37 std::vector<arma::cx_mat>
itg;
45 std::vector< std::vector<double> >
jl;
102 void write_prob(
size_t o,
const std::string & fname)
const;
std::vector< double > transition_velocity(size_t i, size_t f, const bessel_t &bes) const
Definition: lmtrans.cpp:180
arma::cx_mat transition_amplitude(const rad_int_t &rad, double qx, double qy, double qz) const
Definition: lmtrans.cpp:125
lmtrans()
Dummy constructor.
Definition: lmtrans.cpp:27
rad_int_t compute_radial_integrals(size_t i, size_t f, const bessel_t &bes) const
Definition: lmtrans.cpp:81
size_t f
Final state.
Definition: lmtrans.h:32
expansion_t exp
Orbital expansions.
Definition: lmtrans.h:51
~lmtrans()
Destructor.
Definition: lmtrans.cpp:44
Gaunt gaunt
Table of Gaunt coefficients.
Definition: lmtrans.h:55
void write_prob(size_t o, const std::string &fname) const
Write radial distribution of orbital o into file.
Definition: lmtrans.cpp:225
Bessel function stack.
Definition: lmtrans.h:41
double q
Momentum transfer.
Definition: lmtrans.h:34
Table of Gaunt coefficients.
Definition: gaunt.h:31
size_t i
Initial state.
Definition: lmtrans.h:30
std::vector< std::vector< double > > jl
Stack of Bessel functions, for different values l.
Definition: lmtrans.h:45
Basis set.
Definition: basis.h:187
Expansion of orbitals.
Definition: lmgrid.h:53
void print_info() const
Print information about orbitals.
Definition: lmtrans.cpp:169
int lmax
Maximum angular momentum in expansion.
Definition: lmtrans.h:53
double q
Momentum transfer.
Definition: lmtrans.h:43
Coordinates structure.
Definition: basis.h:50
bessel_t compute_bessel(double q) const
Definition: lmtrans.cpp:93
std::vector< arma::cx_mat > itg
Stack of radial integrals, for different values of l.
Definition: lmtrans.h:37
Radial integrals stack.
Definition: lmtrans.h:28
arma::cx_mat radial_integral(size_t i, size_t f, int l, const bessel_t &bes) const
Definition: lmtrans.cpp:47
Class for calculating XRS.
Definition: lmtrans.h:49