|
tblite
Light-weight tight-binding framework
|
Provides coefficients for contracted Gaussian type orbitals to approximate Slater type orbitals. More...
Data Types | |
| interface | tblite_basis_slater::slater_to_gauss |
Modules | |
| module | tblite_basis_slater |
| Implements expansion of Slater functions to contracted Gaussian functions. | |
Provides coefficients for contracted Gaussian type orbitals to approximate Slater type orbitals.
1.10.0