Module params 

EHT parameter tables: VSIP values and Slater exponents per element/orbital.

Hoffmann parameters for valence orbitals of common elements.

Structs

EhtParams

Full EHT parameter set for one element.

OrbitalDef

Definition of a single atomic orbital for EHT.

Constants

DEFAULT_K

Wolfsberg-Helmholtz constant (dimensionless).

Functions

get_params

Look up EHT parameters by atomic number.

num_basis_functions

Count the total number of valence basis functions for an element. s → 1, p → 3, d → 5.