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Chemistry Core

qiskit.chemistry.core

The core was designed to be an extensible system that took a QMolecule and created output which was ready to be input directly to an Aqua algorithm in the form of a qubit operator and list of auxiliary operators such as dipole moments, spin, number of particles etc.

The one implementation here, Hamiltonian, in essence wraps the FermionicOperator to provide easier, convenient access to common capabilities such that the FermionicOperator class need not be used directly.

Core Base Class

ChemistryOperatorBase class for ChemistryOperator.
MolecularChemistryResultMolecular chemistry Result
MolecularGroundStateResultMolecular Ground State Energy Result.
MolecularExcitedStatesResultMolecular Excited States Result

Core

HamiltonianA molecular Hamiltonian operator, representing the energy of the electrons and nuclei in a molecule.
TransformationTypeTransformation Type enum
QubitMappingTypeQubitMappingType enum
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