Symmetries of Molecular Integrals - Azure Quantum | Microsoft Learn
Fri May 12 2023 20:21:05 GMT+0000 (Coordinated Universal Time)
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// Create a `OrbitalIntegral` instance to store a two-electron molecular
// orbital integral data.
var twoElectronIntegral = new OrbitalIntegral(new[] { 0, 1, 2, 3 }, 0.123);
// This enumerates all spin-orbital indices of the `FermionTerm`s in the
// Hamiltonian represented by this integral -- this is an array of array
// of `SpinOrbital` instances.
var twoElectronSpinOrbitalIndices = twoElectronIntegral.EnumerateSpinOrbitals();
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https://learn.microsoft.com/en-us/azure/quantum/user-guide/libraries/chemistry/concepts/symmetries-molecular
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