Bogumił Jeziorski

TL;DR: In this article, the authors present convergence properties of Multipole Expansion of Intermolecular Interaction Operator (MEI) and van der Waals constants (VWC).

TL;DR: In this paper, a general coupled-cluster method valid for arbitrary multideterminantal reference states is formulated and the resulting cluster expansion for the wave function is a generalization of that introduced by Silverstone and Sinano and applied by Sinano\ifmmode \check{g}else \v{g}\fi{}lu and collaborators.

TL;DR: Numerical calculations for the helium, neon, water, and carbon dioxide dimers are reported and it is shown that for a wide range of intermonomer separations, including the van der Waals and short-range repulsion regions, the method provides dispersion energies with accuracies comparable to those that can be achieved using the current most sophisticated wave-function methods.

TL;DR: A method is proposed for calculations of dispersion energy at finite intermonomer separations that uses a generalized Casimir-Polder formula evaluated with dynamic density susceptibilities provided by time-dependent density-functional theory.

TL;DR: In this paper, a four-dimensional intermolecular potential energy surface for the carbon dioxide dimer has been computed using the many-body symmetry-adapted perturbation theory (SAPT) and a large 5s3p2d1f basis set including bond functions.