:term:`MRCC_METHOD ` """""""""""""""""""""""""""""""""""""""" If more than one root is requested and calc=1, LR-CC (EOM-CC) calculation is performed automatically for the excited states. This overrides all automatic determination of method and will only work with :py:func:`~driver.energy`. This becomes CC/CI (option \#5) in fort.56 .. table:: MRCC methods +-------+--------------+-------------------------------------------------------------+ + Value + Method + Description + +=======+==============+=============================================================+ + 1 + CC + + +-------+--------------+-------------------------------------------------------------+ + 2 + CC(n-1)[n] + + +-------+--------------+-------------------------------------------------------------+ + 3 + CC(n-1)(n) + (CC(n-1)[n] energy is also calculated) + +-------+--------------+-------------------------------------------------------------+ + 4 + CC(n-1)(n)_L + (CC(n-1)[n] and CC(n-1)(n) energies are also calculated) + +-------+--------------+-------------------------------------------------------------+ + 5 + CC(n)-1a + + +-------+--------------+-------------------------------------------------------------+ + 6 + CC(n)-1b + + +-------+--------------+-------------------------------------------------------------+ + 7 + CCn + + +-------+--------------+-------------------------------------------------------------+ + 8 + CC(n)-3 + + +-------+--------------+-------------------------------------------------------------+ * **Type**: integer * **Default**: 1