Ladder.hpp

#pragma once
#include "Angular/Angular.hpp"
#include "Coulomb/Coulomb.hpp"
#include "MBPT/RDMatrix.hpp"
#include "Wavefunction/DiracSpinor.hpp"
 
namespace MBPT {
 
// // Weighted average:
// fk = 0.714, 0.617, 0.832, 0.885, 0.941, 0.970, 0.987, 0.994
// fk = 0.654, 0.514, 0.792, 0.857, 0.930, 0.967, 0.986, 0.994 // w/ hp
// eta= 1.258, 1.511, 1.281, 1.175, 1.114, 1.073, 1.062, 1.066
 
 
double Lkmnij(int k, const DiracSpinor &m, const DiracSpinor &n,
              const DiracSpinor &i, const DiracSpinor &j,
              const Coulomb::QkTable &qk, const std::vector<DiracSpinor> &core,
              const std::vector<DiracSpinor> &excited, bool include_L4,
              const Angular::SixJTable &SJ,
              const Coulomb::LkTable *const Lk = nullptr,
              const std::vector<double> &fk = {});
 
 
double L1(int k, const DiracSpinor &m, const DiracSpinor &n,
          const DiracSpinor &i, const DiracSpinor &j,
          const Coulomb::QkTable &qk, const std::vector<DiracSpinor> &excited,
          const Angular::SixJTable &SJ,
          const Coulomb::LkTable *const Lk = nullptr,
          const std::vector<double> &fk = {});
 
 
double L2(int k, const DiracSpinor &m, const DiracSpinor &n,
          const DiracSpinor &i, const DiracSpinor &j,
          const Coulomb::QkTable &qk, const std::vector<DiracSpinor> &core,
          const std::vector<DiracSpinor> &excited, const Angular::SixJTable &SJ,
          const Coulomb::LkTable *const Lk = nullptr,
          const std::vector<double> &fk = {});
 
inline double L3(int k, const DiracSpinor &m, const DiracSpinor &n,
                 const DiracSpinor &i, const DiracSpinor &j,
                 const Coulomb::QkTable &qk,
                 const std::vector<DiracSpinor> &core,
                 const std::vector<DiracSpinor> &excited,
                 const Angular::SixJTable &SJ,
                 const Coulomb::LkTable *const Lk = nullptr,
                 const std::vector<double> &fk = {}) {
  return L2(k, n, m, j, i, qk, core, excited, SJ, Lk, fk);
}
 
double L4(int k, const DiracSpinor &m, const DiracSpinor &n,
          const DiracSpinor &i, const DiracSpinor &j,
          const Coulomb::QkTable &qk, const std::vector<DiracSpinor> &core,
          const Angular::SixJTable &SJ,
          const Coulomb::LkTable *const Lk = nullptr,
          const std::vector<double> &fk = {});
 
void fill_Lk_mnib(Coulomb::LkTable *lk, const Coulomb::QkTable &qk,
                  const std::vector<DiracSpinor> &excited,
                  const std::vector<DiracSpinor> &core,
                  const std::vector<DiracSpinor> &i_orbs, bool include_L4,
                  const Angular::SixJTable &sjt,
                  const Coulomb::LkTable *const lk_prev = nullptr,
                  bool print_progbar = true,
                  const std::vector<double> &fk = {});
 
 
template <typename Qintegrals, typename QorLintegrals>
double de_valence(const DiracSpinor &v, const Qintegrals &qk,
                  const QorLintegrals &lk, const std::vector<DiracSpinor> &core,
                  const std::vector<DiracSpinor> &excited,
                  const std::vector<double> &fk = {},
                  const std::vector<double> &etak = {});
 
 
template <typename Qintegrals, typename QorLintegrals>
double de_core(const Qintegrals &qk, const QorLintegrals &lk,
               const std::vector<DiracSpinor> &core,
               const std::vector<DiracSpinor> &excited);
 
// template implementations:
#include "Ladder.ipp"
 
} // namespace MBPT