… the potential energy surface, which could be only as good as the interaction energy at a
specific point. The recent trend of extending the benchmark interaction energy calculations also …

… and producing beyond-CCSD(T) potential energy surfaces for … ab initio calculations of
noncovalent interaction energies. … how to calculate a gold-standard interaction energy for an …

… CCSD(T)/CBS interaction energies and geometries of various noncovalent complexes, …
interaction energies determined in the equilibrium geometries but also 1056 interaction energies …

… be used in the evaluation of electrostatic interactions between large … allows calculation of
the electrostatic interaction energies of … component of the interaction between fragments of the …

… the data set of benchmark CCSD(T)/CBS interaction energies of twenty-two noncovalent …
of the S22 data set along the main noncovalent interaction coordinate. The goal of this work is …

… of the interaction energy, the vast majority of the calculations of the interaction energies of
… This is because the variation calculation is formally simple and straightforward and because …

… In section III we will present CCSD(T)-F12 interaction energies computed for the neon and
benzene dimers as well as MP2-F12 results for the S22 set. The results will be summarized in …

… Useful information can be obtained upon the successful calculation of interaction energies.
… related to the specific interaction energy, Fig. 8(b). The individual energy components (Eele, …

… In stark contrast, supermolecular DFT calculations give interaction energies … energy,
which is particularly visible for large R where such methods predict essentially zero interaction, …

… interaction energies is necessary for accurate calculation of the protein adsorption energies.
… This paper describes our recent attempt to calculate the solvation interaction energies for …