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Chemistry Core (qiskit.chemistry.core)

DEPRECATED See qiskit.chemistry.transformations which replace this.

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

ChemistryOperator

Base class for ChemistryOperator.

MolecularChemistryResult

Molecular chemistry Result

MolecularGroundStateResult

Molecular Ground State Energy Result.

MolecularExcitedStatesResult

Molecular Excited States Result

Core

Hamiltonian

A molecular Hamiltonian operator, representing the energy of the electrons and nuclei in a molecule.

TransformationType

Transformation Type enum

QubitMappingType

QubitMappingType enum

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