quantumdot/QdotInteraction.hpp

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#ifndef _QDOT_INTERACTION_HPP_
#define _QDOT_INTERACTION_HPP_

//
// Copyright (c) 2008 Simen Kvaal
//
// This file is part of OpenFCI.
//
// OpenFCI is free software: you can redistribute it and/or modify
// it under the terms of the GNU General Public License as published by
// the Free Software Foundation, either version 3 of the License, or
// (at your option) any later version.
//
// OpenFCI is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
// GNU General Public License for more details.
//
// You should have received a copy of the GNU General Public License
// along with OpenFCI. If not, see <http://www.gnu.org/licenses/>.
//


#include <cassert>

#include "linalg.hpp"
#include "sparse.hpp"
#include "RadialPotential.hpp"

namespace quantumdot {


typedef struct
{
    int N1, m1, N2, m2;
} orb_pair;

class QdotInteraction
{

  private:
    int R;

    std::vector<dense_matrix> C;

    std::vector<int> C_index;

    std::vector<dense_matrix> T;

    double lambda;

    std::vector<simple_sparse::SparseMatrix<size_t, double> > U;

    std::vector<std::map<int, size_t> > state_map;

    bool precomputed;

    int n_orbitals;

    RadialPotential potential;

  protected:
    void buildTalmiBlocks();


    int orbitalMap2(int N, int m)
    {
      return (N*(N+2)+m)/2;
    }
    
  public:
    QdotInteraction()
    {
      lambda = 1.0;
      R = -1;
      precomputed = false;
    }

    void setRadialPotential(const RadialPotential& u) { potential = u; }

    void buildInteractionComBlocks();

    void buildEffectiveInteractionComBlocks(int g);

    void setLambda(double ell) { lambda = ell; }

    void setR(int the_R)
    {
      R = the_R;
      assert(R >= 0);
      buildTalmiBlocks();
    }
    
    double singleElement(int N1, int m1, int N2, int m2, int N1pr, int m1pr, int N2pr, int m2pr);

    double singleElementAnalytic(int N1, int m1, int N2, int m2, int N4, int m4, int N3, int m3);

    void precomputeLabFrameMatrix();


};


void computeTalmiMatrix(dense_matrix& TN, int N);



} // namespace quantumdot


#endif 

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