energies_from_fcidump

psi4.driver.energies_from_fcidump(intdump)[source]

From integrals dictionary generated from fcidump_from_file(), compute energies.

Return type:

Dict[str, float]

Returns:

a dictionary with energies

  • ’NUCLEAR REPULSION ENERGY’

  • ’ONE-ELECTRON ENERGY’

  • ’TWO-ELECTRON ENERGY’

  • ’SCF TOTAL ENERGY’

  • ’MP2 CORRELATION ENERGY’