2014-04-10 22:07:04 +02:00
|
|
|
* 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
|