Symmetries of Molecular Integrals - Azure Quantum | Microsoft Learn

    // Create a `OrbitalIntegral` instance to store a one-electron molecular
    // orbital integral data.
    var oneElectronOrbitalIndices = new[] { 0, 1 };
    var oneElectronCoefficient = 1.0;
    var oneElectronIntegral = new OrbitalIntegral(oneElectronOrbitalIndices, oneElectronCoefficient);

    // This enumerates all one-electron integrals with the same coefficient --
    // an array of equivalent `OrbitalIntegral` instances is generated. In this
    // case, there are two elements.
    var oneElectronIntegrals = oneElectronIntegral.EnumerateOrbitalSymmetries();

    // Create a `OrbitalIntegral` instance to store a two-electron molecular orbital integral data.
    var twoElectronOrbitalIndices = new[] { 0, 1, 2, 3 };
    var twoElectronCoefficient = 0.123;
    var twoElectronIntegral = new OrbitalIntegral(twoElectronOrbitalIndices, twoElectronCoefficient);

    // This enumerates all two-electron integrals with the same coefficient -- 
    // an array of equivalent `OrbitalIntegral` instances is generated. In 
    // this case, there are 8 elements.
    var twoElectronIntegrals = twoElectronIntegral.EnumerateOrbitalSymmetries();