pytc.ansatz.gto_spherical.real_spherical_harmonics_all

pytc.ansatz.gto_spherical.real_spherical_harmonics_all(l, x, y, z, r)[source]

Compute all real spherical harmonics Y_lm(x,y,z) for a given l. Returns components in PySCF spherical order.

Parameters:
  • l (int)

  • x (jax.Array)

  • y (jax.Array)

  • z (jax.Array)

  • r (jax.Array)

Return type:

jax.Array