Extensions.CreateAllUCCSDSingletExcitations Method

Reference

Definition

Namespace:: Microsoft.Quantum.Chemistry.Fermion

Assembly:: Microsoft.Quantum.Chemistry.DataModel.dll

Package:: Microsoft.Quantum.Chemistry.DataModel v0.25.218240

Important

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Populates the Unitary coupled-cluster wavefunction with all possible spin-preserving exitations from occupied orbitals to virtual orbitals.

public static Microsoft.Quantum.Chemistry.Fermion.UnitaryCCWavefunction<Microsoft.Quantum.Chemistry.OrbitalIntegrals.SpinOrbital> CreateAllUCCSDSingletExcitations (this System.Collections.Generic.IEnumerable<Microsoft.Quantum.Chemistry.OrbitalIntegrals.SpinOrbital> occupiedSpinOrbitals, int nOrbitals);

static member CreateAllUCCSDSingletExcitations : seq<Microsoft.Quantum.Chemistry.OrbitalIntegrals.SpinOrbital> * int -> Microsoft.Quantum.Chemistry.Fermion.UnitaryCCWavefunction<Microsoft.Quantum.Chemistry.OrbitalIntegrals.SpinOrbital>

<Extension()>
Public Function CreateAllUCCSDSingletExcitations (occupiedSpinOrbitals As IEnumerable(Of SpinOrbital), nOrbitals As Integer) As UnitaryCCWavefunction(Of SpinOrbital)

Parameters

occupiedSpinOrbitals: IEnumerable<SpinOrbital>

Occupied orbitals that annihilation operators act on.

nOrbitals: Int32

Number of orbitals.

Returns

UnitaryCCWavefunction<SpinOrbital>

Applies to