Density-based energy decomposition analysis for intermolecular interactions with variationally determined intermediate state energies

Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism

(2009) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

Energy decomposition analysis of covalent bonds and intermolecular interactions

(2009) Peifeng Su et al.   JOURNAL OF CHEMICAL PHYSICS

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

Comparison between optimized effective potential and Kohn–Sham methods

(2008) Andreas Heßelmann et al.   CHEMICAL PHYSICS LETTERS

Optimized effective potentials from arbitrary basis sets

(2008) Tim Heaton-Burgess et al.   JOURNAL OF CHEMICAL PHYSICS

Relation between exchange-only optimized potential and Kohn–Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions

(2008) Andreas Görling et al.   JOURNAL OF CHEMICAL PHYSICS

Fragment-Localized Kohn−Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis†

(2008) Peter Reinhardt et al.   Journal of Chemical Theory and Computation

Intermolecular Potentials

(2008) A. J. Stone   SCIENCE