FQMolecularMagneticHamiltonian.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 "Operator/FirstQuantized/DiamagneticOperator.hpp"
#include "Operator/FirstQuantized/FQMolecularHamiltonian.hpp"
#include "Operator/FirstQuantized/OrbitalZeemanOperator.hpp"
 
 
namespace GQCP {
 
 
class FQMolecularMagneticHamiltonian:
    public FQMolecularHamiltonian {
private:
    // The orbital Zeeman operator.
    OrbitalZeemanOperator OZ;
 
    // The diamagnetic operator.
    DiamagneticOperator D;
 
 
public:
    /*
     *  MARK: Constructors
     */
 
    FQMolecularMagneticHamiltonian(const KineticOperator& T, const OrbitalZeemanOperator& OZ, const DiamagneticOperator& D, const NuclearAttractionOperator& V, const CoulombRepulsionOperator& g);
 
 
    FQMolecularMagneticHamiltonian(const Molecule& molecule, const HomogeneousMagneticField& B);
 
 
    /*
     *  MARK: Operators
     */
 
    const OrbitalZeemanOperator& orbitalZeeman() const { return this->OZ; }
 
    const DiamagneticOperator& diamagnetic() const { return this->D; }
};
 
 
}  // namespace GQCP