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Operators · VQE Hamiltonians and observables

First-order Trotter product

Product-formula approximation to Hamiltonian evolution. Representative form: e^{-itΣH_j} ≈ ∏_j e^{-itH_j}.

Attested & literatureUpdated

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A small worked example, computed in your browser. It is not a result from this record's papers.

2 Trotter steps of a transverse-field Ising chain

4 qubits starting at |0000⟩, J=1, h=0.5, dt=0.3, 2 first-order Trotter steps.

q0q1q2q3Step 1 of 2 · Ising Trotter step(4)Ising Trotter step(4)Step 2 of 2 · Ising Trotter step(4)Ising Trotter step(4)

Step 1 of 2 · Ising Trotter step(4)

Probability of each outcome after this step

  • 000091%
  • 00012%
  • 00102%
  • 01002%
  • 10002%
  • 00110%
  • 01010%
  • 01100%
  • 8 more outcomes0%
Amplitude and phase after this step
OutcomeProbabilityRelative phase
000091.4%0
00012.1%3π/2
00102.1%3π/2
01002.1%3π/2
10002.1%3π/2
00110.0%π
01010.0%π
01100.0%π

8 more outcomes (0.1% between them)

Phases are measured against the largest amplitude. A global phase is not observable, so only the differences carry meaning.

  1. First Trotter step: RZZ(2*J*dt) couples each neighbouring pair on the line, then RX(2*h*dt) applies the transverse field to every qubit.

    Probability spreads from 1 outcome to 16.

  2. Second Trotter step, identical to the first. Together the two steps approximate exp(−i·H·2·dt) for this chain's Hamiltonian.

    Probability moves between the same 16 outcomes. Up: 0001 2.1% → 6.4%, 1000 2.1% → 6.4%. Down: 0000 91.4% → 75.2%. This is the step that entangles the qubits: from here on no single qubit has a state of its own, only the register as a whole does.

Readout The state spreads from |0000⟩ across several nearby basis states. The exact split is a regression value from this file's own simulator, not a claim about a real material.

Open in Studio
  • Representative forme^{-itΣH_j} ≈ ∏_j e^{-itH_j}
  • Record typeOperator definition
  • Papers1

This record, used inside a worked example

This page says To use this record in VQE — here is a concrete, runnable instance of it.

VQE on a 2-qubit transverse-field Ising Hamiltonian

2 qubits, H = Z⊗Z + 0.5*(X⊗I + I⊗X), a stated toy Hamiltonian (not a molecule), minimised with a hardware-efficient ansatz.

q0q1RY(π/2)RY(5π/4)CXRY(0)RY(0)

Where it ends up

  • 1043%
  • 0143%
  • 007%
  • 117%

At these angles the ansatz's energy ⟨H⟩ reaches E0 = −√2, the Hamiltonian's exact ground energy; a real VQE run reaches these angles by repeating measure-the-energy then update-the-angles, not by a closed-form solution.

Open that example in Studio
TakesNothingWhat joins here

No input port, deliberately. You measure a state with this entry; you do not apply it and pass a register on.

Nothing in the Atlas meets this end.

ReturnsNothingWhat joins here

No output port, deliberately. An observable is measured with, never applied, so there is no register to hand on.

Nothing in the Atlas meets this end.

Not a stage. You measure a state with this; you do not apply it and pass a register on. It has a width and deliberately no ports. See all 60 →

References

  • OpenFermion: The Electronic Structure Package for Quantum Computers

    Jarrod R. McClean, Kevin J. Sung, Ian D. Kivlichan, Yudong Cao, Chengyu Dai, E. Schuyler Fried, Craig Gidney, Brendan Gimby, Pranav Gokhale, Thomas Häner, Tarini Hardikar, Vojtěch Havlíček, Oscar Higgott, Cupjin Huang, Josh Izaac, Zhang Jiang, Xinle Liu, Sam McArdle, Matthew Neeley, Thomas O'Brien, Bryan O'Gorman, Isil Ozfidan, Maxwell D. Radin, Jhonathan Romero, Nicholas Rubin, Nicolas P. D. Sawaya, Kanav Setia, Sukin Sim, Damian S. Steiger, Mark Steudtner, Qiming Sun, Wei Sun, Daochen Wang, Fang Zhang, Ryan Babbush · 2017

    Provides open-source representations and transformations for fermionic and qubit operators used in quantum simulation.

Attested & literature
  • Peer-reviewed paper
Method
Mathematical-definition and literature curation
Result
Pass · representative form, VQE role, and non-circuit conversion boundary are explicit.
Caveat
Indices, coefficients, basis conventions, mappings, and units are instance dependent and must be recorded in an executable experiment.
OpenFermion: The Electronic Structure Package for Quantum Computers ↗
Kind
curated reference
Reviewed by
Leona Quantum curation pass
License
Citation metadata only; source publication terms apply
VQE operatorHamiltonianfirst-order trotter product

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