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HamiltonianSkeleton Type

A precomputed encoding skeleton separating Pauli structure from integral coefficients.

Computing a qubit Hamiltonian has two independent parts:

  • Structure — which Pauli strings appear for each operator product (depends only on the encoding and system size).
  • Coefficients — the integral values that scale each term (depends on the molecular geometry / parameters).

The skeleton captures part (1) once, then applyCoefficients evaluates part (2) cheaply for any coefficient set. This is ideal for potential energy surface scans where the basis set (and encoding structure) is fixed but integral values vary with geometry.

Record fields

Record Field Description

NumQubits

Full Usage: NumQubits

Field type: uint32

Number of qubits in the system.

Field type: uint32

OneBody

Full Usage: OneBody

Field type: SkeletonEntry[]

One-body entries: a†_i a_j encoded as Pauli strings.

Field type: SkeletonEntry[]

TwoBody

Full Usage: TwoBody

Field type: SkeletonEntry[]

Two-body entries: a†_i a†_j a_l a_k encoded as Pauli strings.

Field type: SkeletonEntry[]

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