OrbitalIntegral Class

Definition

Namespace:

Microsoft.Quantum.Chemistry.OrbitalIntegrals

Assembly:

Microsoft.Quantum.Chemistry.DataModel.dll

Package:

Microsoft.Quantum.Chemistry.DataModel v0.25.218240

LadderType representing orbital overlap integrals.

public class OrbitalIntegral : IEquatable<Microsoft.Quantum.Chemistry.OrbitalIntegrals.OrbitalIntegral>, Microsoft.Quantum.Chemistry.ITermIndex<Microsoft.Quantum.Chemistry.TermType.OrbitalIntegral,Microsoft.Quantum.Chemistry.OrbitalIntegrals.OrbitalIntegral>

type OrbitalIntegral = class
    interface ITermIndex<TermType.OrbitalIntegral, OrbitalIntegral>
    interface IEquatable<OrbitalIntegral>

Public Class OrbitalIntegral
Implements IEquatable(Of OrbitalIntegral), ITermIndex(Of TermType.OrbitalIntegral, OrbitalIntegral)

Inheritance

Object

OrbitalIntegral

Implements

ITermIndex<TermType.OrbitalIntegral,OrbitalIntegral> IEquatable<OrbitalIntegral> IEquatable<TTermIndex>

Constructors

OrbitalIntegral()	Parameterless constructors. Sets this as an empty OrbitalIntegral with coefficient 0.0
OrbitalIntegral(Double)
OrbitalIntegral(IEnumerable<Int32>, Double)	Constructor for orbital integral object.
OrbitalIntegral(IEnumerable<Int32>, Double, OrbitalIntegral+Convention)	Constructor for orbital integral object.

Fields

Coefficient	Coefficient of the orbital overlap integral.
OrbitalIndices	Indices of orbitals in the overlap integral.

Properties

Length	Returns length of indices in orbital integral.
Sign	Returns the sign of this term.
TermType

Methods

Clone()	Creates a copy of this instance.
EnumerateOrbitalSymmetries()	Enumerates over all orbital integrals with the same coefficient as this. These symmetries arise from: Indistinguishability of electrons. Orbitals are assumed to be real.
EnumerateSpinOrbitals()	Enumerates over all spin-orbital integrals represented by this term. These symmetries arise from: Indistinguishability of electrons. Orbitals are assumed to be real. electron spins must be paired.
Equals(Object)
Equals(OrbitalIntegral)
GetHashCode()
IsInCanonicalOrder()	Checks of this orbital integral has indices sorted in canonical order.
ResetSign()	Sets the sign of this fermion term to one.
ToCanonicalForm()	Returns orbital indices sorted in a canonical form that generates the same set of orbital integrals through EnumerateSpinOrbitals().
ToString()	Override for string representation of orbital integral data.

Operators

Equality(OrbitalIntegral, OrbitalIntegral)

Inequality(OrbitalIntegral, OrbitalIntegral)

Extension Methods

ToHermitianFermionTerms(OrbitalIntegral, Int32, IndexConvention)

Creates all fermion terms generated by all symmetries of an orbital integral.