mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-11-07 22:53:41 +01:00
15 lines
393 B
OCaml
15 lines
393 B
OCaml
(** Electron-Nucleus attractive potential integrals, expressed as a matrix in a {!Basis.t}.
|
|
|
|
{% $$
|
|
V_{ij} = \left \langle \chi_i \left| \sum_A \frac{-Z_A}{ | \mathbf{r} - \mathbf{R}_A |} \right| \chi_j \right \rangle
|
|
$$ %}
|
|
|
|
*)
|
|
|
|
include module type of MatrixOnBasis
|
|
|
|
val of_basis_nuclei : basis:Basis.t -> Nuclei.t -> t
|
|
(** Build from a {Basis.t} and the nuclei (coordinates and charges). *)
|
|
|
|
|