pytc.ansatz.gto._cartesian_gto

pytc.ansatz.gto._cartesian_gto(centers, ijk, expts, coeffs, images, xyz)[source]

Evaluate Cartesian Gaussian-type orbitals (GTOs).

Parameters:
  • centers (jax.Array)

  • ijk (jax.Array)

  • expts (jax.Array)

  • coeffs (jax.Array)

  • images (jax.Array)

  • xyz (jax.Array)

Return type:

jax.Array