VQE Helpers

class dopyqo.VQEOptimizers(value)

Bases: Enum

L_BFGS_B = 1

COBYLA = 2

ExcitationSolve = 3

class dopyqo.ExcitationPools(value)

Bases: Enum

SINGLES = 1

DOUBLES = 2

SINGLES_DOUBLES = 3

class dopyqo.AdaptSelectionCriterion(value)

Bases: Enum

Types of selection criterions used in ADAPT-VQE

GRADIENT = 1

//doi.org/10.1038/s41467-019-10988-2), by estimating the operator impact by calculating its energy gradient at parameter value 0.

Type:

Gradient-based selection as proposed by Grimsley et al. 2018 (https

ENERGY = 2

//doi.org/10.48550/arXiv.2409.05939), by estimating the operator impact by calculating its maximum energy impact at its optimal parameter value.

Type:

Energy-based selection as proposed by Jäger et al. 2025 (https