Efficient implementation of the analytical second derivatives of hartree-fock and hybrid DFT energies within the framework of the conductor-like polarizable continuum model. - Miquel Garcia-Ratés; Frank Neese (J. Comput. Chem., 2019)

Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge Scheme. - Miquel Garcia-Ratés; Frank Neese (J. Comput. Chem., 2020)

Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory. - Miquel Garcia-Ratés; Ute Becker; Frank Neese (J. Comput. Chem., 2021)

Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Non-Static Radii. - Lukas Wittmann; Miquel Garcia-Ratés; Christoph Riplinger (J. Comput. Chem., 2025)