Hi,

I tried to generate a fcidump file. There is this kind of integrals

-3.30619617543562966944E+01 1 0 0 0

-4.80671943841030646638E+00 2 0 0 0

The one- and two-electron integrals, <i|h|j> and (ij|kl) are with e.g.,

1 1 1 1 and 1 1 0 0 indices. Which integral is for 1 0 0 0 index?

Thank you very much!

I am unfortunately not familiar with the `fcidump`

format; however, it seems that the `1 0 0 0`

integrals seem to be valid as they are the `(10|00)`

integral which is quite valid. The one-electron and two-electron integrals have two and four indices, respectively.

The following tutorial may (or may not be) informative: https://github.com/psi4/psi4numpy/blob/master/Tutorials/03_Hartree-Fock/3a_restricted-hartree-fock.ipynb