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Molecule results

VQE and classical CASCI results​

The results from VQE and from exact CASCI.

State​

The index of the eigenstates.

Method​

VQE or (exact) CASCI

Energy value [Hartree]​

The molecular energy obtained from the correspnding Method.

Energy std_err [Hartree]​

When Sampling simulator is chosen as the Device a non-zero estimate of the standard error is returned. The standard error estimate is calculated from sample estimates of the standard error of Pauli string expectation value estimates. The error depends on the commutability of Pauli strings and the number of shots.

Num electrons​

The expectation value of the number of the electrons in the active space.

Spin S2S^2​

The expectation value of the magnitude squared spin operator, S^2\hat{S}^2.

Spin SzSz​

The expectation value of the zz-component of spin operator, S^z\hat{S}_z.

Structure​

A graphical representation of the input molecule.

Coordinate (Å)​

The input molecular structure represented with Cartesian coordinates.

Cost function history​

The value of the Cost function is plotted as a function of the number of iterations.