mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-02 11:25:26 +02:00
9 lines
241 B
ReStructuredText
9 lines
241 B
ReStructuredText
* The atomic orbitals are normalized:
|
|
|
|
.. math::
|
|
|
|
\int \left(\chi_i({\bf r}) \right)^2 dr = 1
|
|
|
|
* The AO coefficients in the EZFIO files are not normalized
|
|
* The AO coefficients and exponents are ordered in increasing order of exponents
|