vibeqc.TranscorrelatedOptions¶

class vibeqc.TranscorrelatedOptions(form='simple_gaussian', gamma=0.5, no2b=True, symmetrize=False, report_diagnostics=True)[source]¶

Bases: object

Options for the transcorrelated Hamiltonian builder.

Parameters:

form (str)
gamma (float)
no2b (bool)
symmetrize (bool)
report_diagnostics (bool)

form¶

Correlator form: "simple_gaussian", "exponential_jastrow", or "custom".

Type:: str

gamma¶

Correlation strength parameter (for simple_gaussian form). Larger γ = more short-range correlation folded into H.

Type:: float

no2b¶

Apply the normal-ordered two-body approximation (discard 3-body terms).

Type:: bool

symmetrize¶

If True, Hermitise the resulting Hamiltonian (H → (H + H†)/2). This loses the formal transcorrelated advantage but yields a Hermitian operator solvable with standard eigensolvers.

Type:: bool

report_diagnostics¶

Compute and attach detailed diagnostics (norm of each term, etc.).

Type:: bool

__init__(form='simple_gaussian', gamma=0.5, no2b=True, symmetrize=False, report_diagnostics=True)¶

Parameters:

form (str)
gamma (float)
no2b (bool)
symmetrize (bool)
report_diagnostics (bool)

Return type:

None

Methods

__init__([form, gamma, no2b, symmetrize, ...])

Attributes

`form`
`gamma`
`no2b`
`report_diagnostics`
`symmetrize`

form: str = 'simple_gaussian'¶

gamma: float = 0.5¶

no2b: bool = True¶

symmetrize: bool = False¶

report_diagnostics: bool = True¶