pytc.jastrow.dtn.gen_en_terms

pytc.jastrow.dtn.gen_en_terms(max_en_degree=9, init_val=1e-05)[source]

Generate EN terms up to a given max degree.

Starts from k=2 to preserve the exact e-n cusp from SCF orbitals. Generates terms up to max_en_degree (inclusive).

Parameters:
  • max_en_degree (int)

  • init_val (float)