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Results tagged with fcidump
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user 1183
For questions about the FCIDUMP file format used for saving one and two electron integral.
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What do the indices mean in an FCIDUMP file?
For the indices ijkl in the FCIDUMP file, it corresponds to the integral (see https://theochem.github.io/horton/2.0.2/user_hamiltonian_io.html)
$$
\tag{1}
\int dx_1dx_2\chi_i^*(x_1)\chi_k^*(x_2)\chi_j( … With these, we are ready to understand the integrals in FCIDUMP file one by one. First, we need to subtract all the indices by 1, so that it matches with those in the paper. …
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