tequila.quantumchemistry.QuantumChemistryPsi4.compute_amplitudes

QuantumChemistryPsi4.compute_amplitudes(method: str, options: dict = None, filename: str = None, *args, **kwargs) → Union[tequila.quantumchemistry.qc_base.Amplitudes, tequila.quantumchemistry.qc_base.ClosedShellAmplitudes]

Compute closed-shell CC amplitudes

Parameters

• method – coupled-cluster methods like cc2, ccsd, cc3, ccsd(t) Success might depend on backend got an extra function for MP2

• *args –

• **kwargs –