Dispersion interactions in density-functional theory: An adiabatic-connection analysis

Spin flipping in ring-coupled-cluster-doubles theory

(2011) Wim Klopper et al.   CHEMICAL PHYSICS LETTERS

Tuned Range-Separated Hybrids in Density Functional Theory

(2010) Roi Baer et al.   Annual Review of Physical Chemistry

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

(2010) Kevin E. Riley et al.   CHEMICAL REVIEWS

Accurate calculation and modeling of the adiabatic connection in density functional theory

(2010) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

Range-dependent adiabatic connections

(2010) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

Hybrid functionals including random phase approximation correlation and second-order screened exchange

(2010) Joachim Paier et al.   JOURNAL OF CHEMICAL PHYSICS

On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions

(2010) Georg Jansen et al.   JOURNAL OF CHEMICAL PHYSICS

Nonlocal van der Waals density functional: The simpler the better

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration

(2010) Henk Eshuis et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation

(2010) Michael J. G. Peach et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Random phase approximation correlation energies with exact Kohn–Sham exchange

(2010) Andreas Heßelmann et al.   MOLECULAR PHYSICS

Merging multireference perturbation and density-functional theories by means of range separation: Potential curves forBe2,Mg2, andCa2

(2010) Emmanuel Fromager et al.   PHYSICAL REVIEW A

Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications

(2010) Julien Toulouse et al.   PHYSICAL REVIEW A

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

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

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

Development and assessment of a short-range meta-GGA functional

(2009) Erich Goll et al.   JOURNAL OF CHEMICAL PHYSICS

The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems

(2009) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f[sup 0] actinide species

(2009) Emmanuel Fromager et al.   JOURNAL OF CHEMICAL PHYSICS

Making the random phase approximation to electronic correlation accurate

(2009) Andreas Grüneis et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range-corrected hybrids including random phase approximation correlation

(2009) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

Long-Range-Corrected Hybrids Based on a New Model Exchange Hole

(2009) Elon Weintraub et al.   Journal of Chemical Theory and Computation

Unified Inter- and Intramolecular Dispersion Correction Formula for Generalized Gradient Approximation Density Functional Theory

(2009) Stephan N. Steinmann et al.   Journal of Chemical Theory and Computation

Van der Waals Interactions in Density-Functional Theory: Rare-Gas Diatomics

(2009) Felix O. Kannemann et al.   Journal of Chemical Theory and Computation

Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules

(2009) Éamonn D. Murray et al.   Journal of Chemical Theory and Computation

The RPA Atomization Energy Puzzle

(2009) Adrienn Ruzsinszky et al.   Journal of Chemical Theory and Computation

Time-dependent density-functional theory for molecules and molecular solids

(2009) Mark E. Casida   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory

(2009) Tamar Stein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory

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

Nonlocal van der Waals Density Functional Made Simple

(2009) Oleg A. Vydrov et al.   PHYSICAL REVIEW LETTERS

Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation

(2009) Julien Toulouse et al.   PHYSICAL REVIEW LETTERS

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

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach

(2008) Gustavo E. Scuseria et al.   JOURNAL OF CHEMICAL PHYSICS

The role of orbital products in the optimized effective potential method

(2008) Christian Kollmar et al.   JOURNAL OF CHEMICAL PHYSICS

Developing the random phase approximation into a practical post-Kohn–Sham correlation model

(2008) Filipp Furche   JOURNAL OF CHEMICAL PHYSICS

Toward an Accurate and Efficient Theory of Physisorption. I. Development of an Augmented Density-Functional Theory Model

(2008) Garold Murdachaew et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Density Functional Theory for Symmetric Radical Cations from Bonding to Dissociation†

(2008) Ester Livshits et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Linear density response function within the time-dependent exact-exchange approximation

(2008) Maria Hellgren et al.   PHYSICAL REVIEW B