MixedStates.hpp

#pragma once
#include <vector>
class Wavefunction;
class DiracSpinor;
class Grid;
namespace MBPT {
class CorrelationPotential;
}
namespace HF {
class HartreeFock;
class Breit;
} // namespace HF
 
namespace ExternalField {
 
constexpr bool print_final_eps = false;
constexpr bool print_each_eps = false;
 
 
DiracSpinor
solveMixedState(const DiracSpinor &Fa, double omega,
                const std::vector<double> &vl, double alpha,
                const std::vector<DiracSpinor> &core, const DiracSpinor &Fs,
                double eps_target = 1.0e-9,
                const MBPT::CorrelationPotential *const Sigma = nullptr,
                const HF::Breit *const VBr = nullptr,
                const std::vector<double> &H_mag = {});
 
 
void solveMixedState(DiracSpinor &dF, const DiracSpinor &Fa, double omega,
                     const std::vector<double> &vl, double alpha,
                     const std::vector<DiracSpinor> &core,
                     const DiracSpinor &Fs, double eps_target = 1.0e-9,
                     const MBPT::CorrelationPotential *const Sigma = nullptr,
                     const HF::Breit *const VBr = nullptr,
                     const std::vector<double> &H_mag = {});
 
DiracSpinor
solveMixedState(const DiracSpinor &Fa, double omega, const DiracSpinor &Fs,
                const HF::HartreeFock *const hf, double eps_target = 1.0e-9,
                const MBPT::CorrelationPotential *const Sigma = nullptr);
 
void solveMixedState(DiracSpinor &dF, const DiracSpinor &Fa, double omega,
                     const DiracSpinor &Fs, const HF::HartreeFock *const hf,
                     double eps_target = 1.0e-9,
                     const MBPT::CorrelationPotential *const Sigma = nullptr);
 
DiracSpinor solveMixedState_basis(const DiracSpinor &Fa, const DiracSpinor &hFa,
                                  double omega,
                                  const std::vector<DiracSpinor> &basis);
 
} // namespace ExternalField