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.ndarray
  • op: Any
  • :returns: _

 

localize(self, criterion, which=None): 

Find a transformation that maximally localizes the wavefunctions in the Boys’ sense by minimizing <r^2> - ^2 over unitary transformations

  • criterion: Any
  • which: Any
  • :returns: _

 

__repr__(self): 

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