AnalyticPerturbationTheoryCorrections
AnalyticPerturbationTheoryCorrections(states: Psience.BasisReps.StateSpaces.BasisStateSpace, state_lists: ‘list[tuple[np.ndarray, np.ndarray]]’, _energies: numpy.ndarray = None, _transition_moments: ‘Iterable[np.ndarray]’ = None, _spectra: ‘Iterable[DiscreteSpectrum]’ = None, _deperturbed_energies: numpy.ndarray = None, _deperturbed_transition_moments: ‘Iterable[np.ndarray]’ = None, _deperturbed_spectra: Psience.Spectra.BaseSpectrum.DiscreteSpectrum = None, degenerate_states: ‘Iterable[BasisStateSpace]’ = None, only_degenerate_terms: ‘bool’ = True, _degenerate_hamiltonians: ‘Iterable[np.ndarray]’ = None, _degenerate_coefficients: ‘Iterable[np.ndarray]’ = None, _degenerate_state_list_transformations: ‘Iterable[list[np.ndarray, np.ndarray]]’ = None, energy_corrections: Psience.VPT2.Corrections.PTCorrections = None, transition_moment_corrections: ‘Iterable[BasicAPTCorrections]’ = None, degenerate_hamiltonian_corrections: ‘Iterable[BasicAPTCorrections]’ = None, operator_corrections: ‘Iterable[BasicAPTCorrections]’ = None, _deperturbed_operator_values: ‘Iterable[np.ndarray]’ = None, _operator_values: ‘Iterable[np.ndarray]’ = None, operator_keys: ‘Iterable[Any]’ = None, logger: ‘Logger’ = None, _zpe_pos: int = None)
degenerate_states: NoneType
only_degenerate_terms: bool
energy_corrections: NoneType
transition_moment_corrections: NoneType
degenerate_hamiltonian_corrections: NoneType
operator_corrections: NoneType
operator_keys: NoneType
logger: NoneType
get_zpe_pos(self) -> int:
@property
energies(self) -> numpy.ndarray:
@property
deperturbed_energies(self) -> numpy.ndarray:
@classmethod
handle_degenerate_transformation(cls, degenerate_ham):
get_degenerate_transformations(self, basis, energies):
@property
degenerate_hamiltonians(self):
@property
degenerate_coefficients(self):
get_freqs(self):
get_deperturbed_freqs(self):
@property
degenerate_transformation_pairs(self):
@property
transition_moments(self):
@property
harmonic_transition_moments(self):
@property
deperturbed_transition_moments(self):
get_spectra(self, energies, transition_moments):
@property
harmonic_spectra(self):
@property
deperturbed_spectra(self):
@property
spectra(self):
@property
deperturbed_operator_values(self):
@property
operator_values(self):
__init__(self, states: Psience.BasisReps.StateSpaces.BasisStateSpace, state_lists: 'list[tuple[np.ndarray, np.ndarray]]', _energies: numpy.ndarray = None, _transition_moments: 'Iterable[np.ndarray]' = None, _spectra: 'Iterable[DiscreteSpectrum]' = None, _deperturbed_energies: numpy.ndarray = None, _deperturbed_transition_moments: 'Iterable[np.ndarray]' = None, _deperturbed_spectra: Psience.Spectra.BaseSpectrum.DiscreteSpectrum = None, degenerate_states: 'Iterable[BasisStateSpace]' = None, only_degenerate_terms: 'bool' = True, _degenerate_hamiltonians: 'Iterable[np.ndarray]' = None, _degenerate_coefficients: 'Iterable[np.ndarray]' = None, _degenerate_state_list_transformations: 'Iterable[list[np.ndarray, np.ndarray]]' = None, energy_corrections: Psience.VPT2.Corrections.PTCorrections = None, transition_moment_corrections: 'Iterable[BasicAPTCorrections]' = None, degenerate_hamiltonian_corrections: 'Iterable[BasicAPTCorrections]' = None, operator_corrections: 'Iterable[BasicAPTCorrections]' = None, _deperturbed_operator_values: 'Iterable[np.ndarray]' = None, _operator_values: 'Iterable[np.ndarray]' = None, operator_keys: 'Iterable[Any]' = None, logger: 'Logger' = None, _zpe_pos: int = None) -> None:
__repr__(self):
__eq__(self, other):