DGBWavefunctions
wavefunction_class: DGBWavefunction
__init__(self, energies=None, wavefunctions=None, hamiltonian=None, **opts):
as_cartesian_wavefunction(self):
Projects the wavefunction back to Cartesians
:returns:_
@property
hamiltonian(self):
operator_representation(self, op, embed=True, expansion_degree=None, quadrature_degree=None, expansion_type=None):
expectation(self, op, expansion_degree=None, quadrature_degree=None, expansion_type=None, embed=True, other=None):
Computes the expectation value of operator op over the wavefunction other and self
other:Wavefunction | np.ndarrayop:Any:returns:_
localize(self, criterion, which=None):
Find a transformation that maximally localizes the wavefunctions in the Boys’ sense
by minimizing <r^2> -
criterion:Anywhich:Any:returns:_
__repr__(self):