ExpansionWavefunction

Simple wave function that takes a set of expansion coefficients alongside its basis. Technically this should be called a linear expansion wave function, but that was too long for my taste.

 

__init__(self, energy, coefficients, basis_wfns): 
  • energy: float

    energy of the wavefunction

  • coefficients: Iterable[float]

    expansion coefficients

  • basis_wfns: Wavefunctions

    basis functions for the expansion

 

@property
coeffs(self): 

 

@property
basis(self): 

 

evaluate(self, *args, **kwargs): 

Evaluates the wavecfunction as any other linear expansion.

  • args: Any

    coordinates + any other args the basis takes

  • kwargs: Any

    any keyword arguments the basis takes

  • :returns: _

    v a l u e s

o f

t h e

w a v e f u n c t i o n

 

expect(self, operator): 

Provides the expectation value of the operator op. Uses the basis to compute the reps and then expands with the expansion coeffs.

  • operator: Any
  • :returns: _

 

expectation(self, op, other): 

Computes the expectation value of operator op over the wavefunction other and self. Note: the basis of other, self, and op are assumed to be the same.

  • op: Operator

    an operator represented in the basis of the expansion

  • other: ExpansionWavefunction

    the other wavefunction to expand over

  • :returns: _

 

probability_density(self): 

Computes the probability density of the current wavefunction

  • :returns: _

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