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phys_552.dvr
Module Contents
class SphericalDVRBasis ( ** kw )
Spherical DVR basis.
This represents d-dimensional problems with rotational symmetry.
Parameters:
d (int d=2 for cylindrical coordinates, d=3 for spherical.
k_max (float
R (float R * k_max / np.pi .
d = 3
k_max = 1.0
R = 10.0
get_weights ( l = 0 volume = False )
Return the integration weights.
Parameters:
l (int
volume (bool True then sum(f*w) will be the spherical integral (including the
factors of the area S of the sphere and r**(d-1) ), otherwise it will
be simply the integral of the radial function from 0.
get_N ( nu = None l = 0 )
Return the number of abscissa below R.
get_nu ( l = 0 )
Return nu = l + d/2 - 1 for the centrifugal term.
Parameters:
l (int
get_K ( l = 0 )
Return K , the DVR kinetic energy matrix for the radial function.
This term effects the $-d^2/dr^2 + (nu^2 - 1/4)/r^2$ term.
Returns:
K – Operates on radial wavefunctions
Return type:
array
get_rn ( nu = None l = 0 )
Return the abscissa.
_F ( n r nu d = 0 )
Return the dth derivative of the n’th basis function.
get_F ( r l = 0 )
Return a function that can extrapolate a radial
wavefunction to a new set of abscissa r .
