C.1 Q-Chem Text Input Summary

C.1.10 Keyword: $multipole_field

(May 16, 2021)

A multipole field can be applied to the molecule under investigation by specifying the $multipole_field input section. Each line in this section consists of a single component of the applied field, in the following format:

   field_component_1   value_1
   field_component_2   value_2

Each field_component is stipulated using the Cartesian representation e.g., X, Y, and/or Z, (dipole field components); XX, XY, and/or YY (quadrupole field components); XXX, XXY, etc.. The value (magnitude) of each field component should be provided in atomic units.