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