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QCaml/gaussian_integrals/lib/overlap_primitives.ml

37 lines
756 B
OCaml

open Common
open Util
(* Horizontal and Vertical Recurrence Relations (HVRR) *)
let hvrr (angMom_a, angMom_b) (expo_inv_p) (center_ab, center_pa)
=
(* Vertical recurrence relations *)
let rec vrr angMom_a =
if angMom_a > 0 then
chop center_pa (fun () -> vrr (angMom_a-1))
+. chop (0.5 *. float_of_int_fast (angMom_a-1) *. expo_inv_p)
(fun () -> vrr (angMom_a-2))
else if angMom_a = 0 then 1.
else 0.
(* Horizontal recurrence relations *)
and hrr angMom_a angMom_b =
if angMom_b > 0 then
hrr (angMom_a+1) (angMom_b-1) +. chop center_ab
(fun () -> hrr angMom_a (angMom_b-1) )
else if angMom_b = 0 then
vrr angMom_a
else 0.
in
hrr angMom_a angMom_b
let overlap = hvrr