CartesianDVR

Provides the Colbert Miller DVR on the Cartesian [-inf, inf] range

 

get_grid(self, domain=None, divs=None, **kw): 

Provides the Colbert-Miller DVR grid for the [-inf, inf] range

  • domain: Any
  • divs: Any
  • flavor: Any
  • kw: Any
  • :returns: _

 

get_kinetic_energy(self, grid=None, mass=None, hb=1, **kwargs): 

LLM Docstring

Build the Colbert-Miller kinetic-energy matrix for the free-particle (Cartesian, [-inf, inf]) DVR grid, with diagonal elements coeff * pi^2/3 and off-diagonal band elements coeff * (-1)^(j-i) * 2/(j-i)^2.

  • grid: np.ndarray

    the DVR grid points

  • mass: float

    the particle mass

  • hb: float

    the value of hbar to use

  • kwargs: dict

    extra options, unused

  • :returns: np.ndarray

    the kinetic-energy matrix

 

real_momentum(self, grid=None, mass=None, hb=1, **kwargs): 

Provides the real part of the momentum for the [-inf, inf] range

  • grid: Any
  • hb: Any
  • kw: Any
  • :returns: _

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