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van der Waals forces in DFT, RPA and beyond
June 28, 2010 to July 2, 2010
Location : CECAM-HQ-EPFL, Lausanne, Switzerland
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- Performance of DFT and WFT methods for non-covalent complexes at equilibrium and non-equilibrium distances
Pavel Hobza - SAPT(CC) - a symmetry-adapted perturbation theory with coupled-cluster treatment of intramonomer correlation effects
Bogumil Jeziorski, Tatiana Korona - RPA: The Viewpoint of Coupled-cluster Theory and some Consequences
Rodney J. Bartlett, Ajith Perera, Tomas Kus, Prakash Verma, Tom Watson - Adiabatic Connection Fluctuation Dissipation (ACFD) approach to van der Waals interactions
John F. Dobson, Timothy Gould - Efficient and accurate calculation of exact exchange and RPA correlation energies in ACFD theory
Stefano de Gironcoli - ACFD-Functional correlation energy calculations from a linear continuum mechanics approach
Tim Gould, John F. Dobson - The LCAO-S2+vdW formalism for the treatment of weak and van der Waals interactions : Hydrogene adsorption on graphitic materials
Yannick Dappe - Dispersion interactions in molecular assemblies from first principles calculations
Giulia Galli - The random phase approximation for extended systems
Judith Harl - Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation.
Sebastien Lebegue - Dispersionless density functional theory with physically sound dispersion correction
Rafal Podeszwa - New methods for computing intermolecular forces at density-functional costs
Krzysztof Szalewicz - Correlation energies from adiabatic connection fluctuation-dissipation theorem: random phase approximations and ring-coupled cluster doubles theory
Georg Jansen, János G. Ángyán - Accurate intermolecular interaction energies from a combination of MP2 and TDDFT response theory
Andreas Hesselmann - Gradients in mixed short-range DFT/long-range WFT methods: Application to weakly bound systems and conjugated oligomers
Thierry Leininger, Sylvain Chabbal - Range-separated density-functional theory with long-range Random Phase Approximation
János G. Ángyán, W. Zhu, A. Savin, I. C. Gerber, J. G. Ángyán, G. Jansen - New models for mixing wavefunctions with density functional theory
Gustavo Scuseria - Fast computation of molecular RPA correlation energies by resolution-of-the-Identity and imaginary frequency integration
Filipp Furche, Henk Eshuis - RPA made easy: implementation, application, and a simple accuracy booster
Xinguo Ren, Alexandre Tkatchenko, Patrik Rinke, and Matthias Scheffler - Long-range behaviour of the interaction potential obtained from various range-separated RPA methods
János G. Ángyán, Ru-Fen Liu, Julien Toulouse, Tim Gould, John Dobson - Local response dispersion method with non-local atomic polarizabilities
Takeshi Sato - Applications of and accuracy measures for van der Waals density functionals
Bengt I. Lundqvist - Efficient implementation of vdW-DF
Jose M. Soler - Simple nonlocal correlation functionals incorporating dispersion interactions
Oleg Vydrov - Fully nonlocal correction of RPA
Adrienn Ruzsinszky, John P. Perdew, Gábor I. Csonka - Difficult problems in van der Waals interaction calculations using simple models
Giacinto Scoles - Computationally efficient and accurate dispersion correction for Density Functional Theory
Stefan Grimme - Van der Waals asymptotics: Successes and failures
Alexandre Tkatchenko - Long-range corrected DFT combined with intramolecular dispersion correlation
Takao Tsuneda - Improving generalized gradient approximation density functionals for weak inter- and intramolecular interactions: beyond the C6 term
Gábor Csonka - Non-additivity of the dispersion interactions between semiconducting wires
Alston Misquitta, James Spencer, Anthony J. Stone and Ali Alavi - Long-range van der Waals attraction and alkali-metal lattice constants
John P. Perdew, Jianmin Tao, Adrienn Ruzsinszky
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