vAP1roGElectricalResponseSolver.hpp

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// This file is part of GQCG-GQCP.
//
// Copyright (C) 2017-2020  the GQCG developers
//
// GQCG-GQCP is free software: you can redistribute it and/or modify
// it under the terms of the GNU Lesser General Public License as published by
// the Free Software Foundation, either version 3 of the License, or
// (at your option) any later version.
//
// GQCG-GQCP 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 Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with GQCG-GQCP.  If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
#include "Processing/Properties/BaseElectricalResponseSolver.hpp"
#include "QCModel/Geminals/vAP1roG.hpp"
 
 
namespace GQCP {
 
 
class vAP1roGElectricalResponseSolver: public BaseElectricalResponseSolver {
private:
    QCModel::vAP1roG vap1rog;  // the optimal vAP1roG parameters
 
 
public:
    // CONSTRUCTORS
 
    vAP1roGElectricalResponseSolver(const QCModel::vAP1roG& vap1rog);
 
 
    // PUBLIC OVERRIDDEN METHODS
 
    SquareMatrix<double> calculateParameterResponseConstant(const RSQHamiltonian<double>& sq_hamiltonian) const override;
 
    Matrix<double, Dynamic, 3> calculateParameterResponseForce(const VectorRSQOneElectronOperator<double>& dipole_op) const override;
 
 
    // PUBLIC METHODS
 
    SquareMatrix<double> calculateMultiplierResponseConstant(const RSQHamiltonian<double>& sq_hamiltonian) const;
 
    Matrix<double, Dynamic, 3> calculateExplicitMultiplierResponseForce(const VectorRSQOneElectronOperator<double> dipole_op) const;
 
    ImplicitRankFourTensorSlice<double> calculateImplicitMultiplierResponseForceConstant(const RSQHamiltonian<double>& sq_hamiltonian) const;
 
    Matrix<double, Dynamic, 3> calculateMultiplierResponseForce(const RSQHamiltonian<double>& sq_hamiltonian, const VectorRSQOneElectronOperator<double> dipole_op, const Matrix<double, Dynamic, 3>& x) const;
 
    Matrix<double, Dynamic, 3> calculateMultiplierResponse(const RSQHamiltonian<double>& sq_hamiltonian, const VectorRSQOneElectronOperator<double> dipole_op, const Matrix<double, Dynamic, 3>& x) const;
};
 
 
}  // namespace GQCP