Importance of anisotropy in the evaluation of dispersion interactions

Origin of the size-dependence of the polarizability per atom in heterogeneous clusters: The case of AlP clusters

(2010) Alisa Krishtal et al.   JOURNAL OF CHEMICAL PHYSICS

Local response dispersion method. II. Generalized multicenter interactions

(2010) Takeshi Sato et al.   JOURNAL OF CHEMICAL PHYSICS

A System-Dependent Density-Based Dispersion Correction

(2010) Stephan N. Steinmann et al.   Journal of Chemical Theory and Computation

van der Waals Interactions in Density-Functional Theory: Intermolecular Complexes

(2010) Felix O. Kannemann et al.   Journal of Chemical Theory and Computation

First-Principles-Based Dispersion Augmented Density Functional Theory: From Molecules to Crystals

(2010) Yi Liu et al.   Journal of Physical Chemistry Letters

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations

(2010) Marie Zgarbová et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dispersion interactions between semiconducting wires

(2010) Alston J. Misquitta et al.   PHYSICAL REVIEW B

Accurate interaction energies at density functional theory level by means of an efficient dispersion correction

(2009) Alisa Krishtal et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional method including weak interactions: Dispersion coefficients based on the local response approximation

(2009) Takeshi Sato et al.   JOURNAL OF CHEMICAL PHYSICS

Van der Waals coefficients of atoms and molecules from a simple approximation for the polarizability

(2009) Huy-Viet Nguyen et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Effect of Structural Parameters on the Polarizabilities of Methanol Clusters:  A Hirshfeld Study

(2008) Alisa Krishtal et al.   Journal of Chemical Theory and Computation

Influence of Structure on the Polarizability of Hydrated Methane Sulfonic Acid Clusters

(2008) Alisa Krishtal et al.   Journal of Chemical Theory and Computation

Time-dependent density-functional-theory calculation of the van der Waals coefficientC6of alkali-metal atoms Li, Na, K; alkali-metal dimersLi2,Na2,K2; sodium clustersNan; and fullereneC60

(2008) Arup Banerjee et al.   PHYSICAL REVIEW A

Enhanced dispersion interaction between quasi-one-dimensional conducting collinear structures

(2008) Angela White et al.   PHYSICAL REVIEW B