I need the orbital expansion coefficients of each orbital for different atoms. I'm using the Hartree Fock program by C. Froese Fische. As long as I understand, the program must calculate the coeffs at some point, but it doesn't show them in the output. If someone is familiar with this code and knows how to obtain those values or where they are calculated so I can print them I would be grateful.
Dear Dr Rubio please take a look at the following useful links:
https://www.sciencedirect.com/topics/chemistry/hartree-fock-method
&
https://core.ac.uk/download/pdf/33750492.pdf
Regards-
Prof. Froese-Fischer seems to be still alive, have you tried asking her directly?
Jürgen Weippert this would have been a good idea. Anyway I've already solved my problem.
Thank you for your answers.
Ijaz Durrani
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