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RUR: Please consult the Russian version of the page. The opening of the Meeting and all its sessions will take place in the hotel Almira. Information on how to reach the location of the conference is available here. In order to take part in the Meeting, first register in the Meeting Information System by filling out the electronic form. The electronic registeration is free. In order to submit your contribution prepare it, first, in the HTML format only one contribution per registered participant is allowed. Then upload your it through the Information System.

Follow the " Submit " link. Instructions are given on the abstract submission page. The deadline of the abstract submission is 1. To browse the submitted contributions enter the System by clicking here and follow the "Browse " link. A submission is considered valid e. The submission deadline is set to We are glad to welcome you in Sochi.

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Russian version. Enter the information system Registration in the information system. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. B 37, — Perdew, J. Generalized Gradient Approximation Made Simple. Tao, J. Zhao, Y. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and non-covalent interactions. Sun, J. Dion, M.

Lee, K. Higher-accuracy van der Waals density functional. B 82, A new mixing of Hartree—Fock and local density functional theories. Rationale for mixing exact exchange with density functional approximations. Adamo, C. Toward reliable density functional methods without adjustable parameters: The PBE0 model.

Grimme, S. Semiempirical hybrid density functional with perturbative second-order correlation. Zhang, Y. Doubly hybrid density functional for accurate descriptions of non-bond interactions, thermochemistry, and thermochemical kinetics. USA , — Zhang, I. A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz.

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Lejaeghere, K. Lejaeghere et al. Ihm, J. Momentum-space formalism for the total energy of solids.


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C Solid State Phys. Szabo, A. McGraw-Hill Publishing Company, Andersen, O. Linear methods in band theory. B 12, — Soler, J. Matter 14, Haynes, P. Psi-K Newsl. Gillan, M. Order N first-principles calculations with the conquest code. Delley, B. An all-electron numerical method for solving the local density functional for polyatomic molecules. Koepernik, K. Full-potential non-orthogonal local-orbital minimum-basis bandstructure scheme.

B 59, — Blum, V. Ab initio molecular simulations with numeric atom-centred orbitals. Cohen, A. Challenges for Density Functional Theory. Ruzsinszky, A. Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles. Theory Chem.

2016 International Conference on Theoretical and High Performance Computational Chemistry

Marsman, M. Within the projector-augmented-wave formalism using a plane wave basis set. Shepherd, J. Booth, G.

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Towards an exact description of electronic wave-functions in real solids. Nature , — Del Ben, M. Theory Comput.


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Pisani, C. Making the random phase approximation to electronic correlation accurate.

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Summer school on Materials modeling from first principles: theory and practice, International Center for Materials Research, University of California at Santa Barbara, July , International symposium on Multi-scale modeling and simulation of materials, Fudan University, Shanghai, China, July 7 — 11, International workshop on Time-dependent density-functional theory: prospects and applications, Benasque, Spain, September 6 — 10,