Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model. - Roberto Cammi; Bo Chen 012; Martin Rahm (J. Comput. Chem., 2018)

The second derivative of the electronic energy with respect to the compression scaling factor in the XP-PCM model: Theory and applications to compression response functions of atoms. - Roberto Cammi; Bo Chen 012 (J. Comput. Chem., 2022)