Hex  1.0
Hydrogen-electron collision solver
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Functions
DWBA1 Namespace Reference

Functions

Complex computeDirect1e (DistortingPotential const &U, int l, double k)
 
Complex computeExchange1e (DistortingPotential const &U, int Ni, int Li, double ki, int Nf, int Lf, double kf)
 
Complex computeDirect2e (const DistortingPotential &U, int lambda, int Nf, int Lf, double kf, int lf, int Ni, int Li, double ki, int li)
 
Complex computeExchange2e (const DistortingPotential &U, int lambda, int Nf, int Lf, double kf, int lf, int Ni, int Li, double ki, int li)
 

Detailed Description

Namespace members compute contributions to the first order of the distorted wave Born approximation.

Function Documentation

Complex DWBA1::computeDirect1e ( DistortingPotential const &  U,
int  l,
double  k 
)

Computes the one-electron part of direct T-matrix,

\[ D_\ell^{(1)} = \frac{1}{k^2} \sqrt{\frac{2\ell+1}{4\pi}} \int \chi_\ell(k,r) U(r) (\hat{j}_\ell(kr) - \chi_\ell(k,r)) \mathrm{d}r \]

Parameters
UDistortingPotential class containing information of the distorting potential.
lPartial wave (outgoing angular momentum).
kInitial (= final) wavenumber.
Complex DWBA1::computeDirect2e ( const DistortingPotential U,
int  lambda,
int  Nf,
int  Lf,
double  kf,
int  lf,
int  Ni,
int  Li,
double  ki,
int  li 
)

Computes the two-electron part of the direct T-matrix,

\[ D_{l_f}^{(2)} = \frac{1}{k_i k_f} \sum_{l_i \lambda} \mathrm{i}^{l_i - l_f} \frac{\sqrt{4\pi(2l_i+1)}}{2\lambda + 1} G_{L_i M_i \lambda M_f-M_i}^{L_f M_f} G_{l_f M_i-M_f \lambda M_f-M_i}^{l_i 0} I_{\mathrm{dir}} \ , \]

\[ I_{\mathrm{dir}} = \int\int \chi_{l_f}(k_f,r_2) \psi_{L_f}(E_f,r_1) \left(\frac{r_<^\lambda}{r_>^{\lambda+1}}-\frac{\delta_\lambda^0}{r_2}\right) \psi_{L_i}(E_i,r_1) \chi_{l_i}(k_i,r_2) \mathrm{d}r_1 \mathrm{d}r_2 \ . \]

Parameters
UDistortingPotential class containing information of the distorting potential.
lambdaMultipole moment.
NfPrincipal quantum number of the final state.
LfOrbital quantum number of the final state.
kfFinal projectile wave number.
lfFinal projectile partial wave.
NiPrincipal quantum number of the initial state.
LiOrbital quantum number of the initial state.
kiInitial projectile wave number.
liInitial projectile partial wave.
Complex DWBA1::computeExchange1e ( DistortingPotential const &  U,
int  Ni,
int  Li,
double  ki,
int  Nf,
int  Lf,
double  kf 
)

Computes the one-electron part of exchange T-matrix,

\[ E^{(1)} = -\frac{1}{k_i k_f} \mathrm{i}^{L_f-L_i} \sqrt{\frac{2L_f+1}{4\pi}} \int \chi_{L_i}(k_f,r) U_f(r) \psi_{L_i}(E_i,r) \mathrm{d}r \int \psi_{L_f}(E_f,r) \chi_{L_f}(k_i,r) \mathrm{d}r \]

Parameters
UDistortingPotential class containing information of the distorting potential.
NiInitial atomic principal quantum number.
LiInitial atomic orbital quantum number.
kiInitial projectile wavenumber.
NfFinal atomic principal quantum number.
LfFinal atomic orbital quantum number.
kfFinal projectile wavenumber.
Complex DWBA1::computeExchange2e ( const DistortingPotential U,
int  lambda,
int  Nf,
int  Lf,
double  kf,
int  lf,
int  Ni,
int  Li,
double  ki,
int  li 
)

Computes the two-electron part of the exchange T-matrix,

\[ E_{l_f}^{(2)} = \frac{1}{k_i k_f} \sum_{l_i \lambda} \mathrm{i}^{l_i - l_f} \frac{\sqrt{4\pi(2l_i+1)}}{2\lambda + 1} G_{l_i 0 \lambda M_f}^{L_f M_f} G_{l_f M_i-M_f \lambda M_f}^{L_i M_i} I_{\mathrm{exc}} \ , \]

\[ I_{\mathrm{dir}} = \int\int \chi_{l_f}(k_f,r_2) \psi_{L_f}(E_f,r_1) \left(\frac{r_<^\lambda}{r_>^{\lambda+1}}-\frac{\delta_\lambda^0}{r_2}\right) \psi_{L_i}(E_i,r_2) \chi_{l_i}(k_i,r_1) \mathrm{d}r_1 \mathrm{d}r_2 \ . \]

Parameters
UDistortingPotential class containing information of the distorting potential.
lambdaMultipole moment.
NfPrincipal quantum number of the final state.
LfOrbital quantum number of the final state.
kfFinal projectile wave number.
lfFinal projectile partial wave.
NiPrincipal quantum number of the initial state.
LiOrbital quantum number of the initial state.
kiInitial projectile wave number.
liInitial projectile partial wave.