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Density functional theory
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201	facilities and methods Downloaded by [Oak Ridge National Laboratory], [Witold Nazarewicz] at 13:47 15 July 2011 The UNEDF Project Overview Add to Reading List Source URL: unedf.org Language: English - Date: 2011-07-16 19:52:13 Baryons Density functional theory Theoretical chemistry Nuclear force Ab initio quantum chemistry methods Neutron Nuclear structure Three-body force Nuclear matter Physics Chemistry Nuclear physics
202	A New Real-Space Finite Element Method to Solve the Kohn-Sham Equations of Density Functional Theory 1 N. Sukumar Department of Civil and Environmental Engineering University of California, Davis, CA 95616 Add to Reading List Source URL: www.cims.nyu.edu Language: English - Date: 2007-11-03 13:52:22 Continuum mechanics Finite element method Physics Structural analysis Density functional theory Numerical analysis Extended finite element method Partial differential equations Mathematical analysis Mathematics
203	Building a Universal Nuclear Energy Density Functional ! Viewing The Nucleus -Like A Jpeg Picture Two-center inverted twocosh potential: a simple model for fission or fusion Add to Reading List Source URL: unedf.org Language: English - Date: 2008-09-30 07:48:51 Jaguar MADNESS Quasiparticle Cray Oak Ridge National Laboratory FLOPS National Center for Computational Sciences Density functional theory Computing Physics Supercomputers
204	Group of W. Huebner Post-doctoral Researcher in Theoretical Physics (Condensed Matter Theory) Electronic theory of magnetic multicenter complexes as logic-elements. The project addresses the logic and/or thermodynamics Add to Reading List Source URL: www.uni-kl.de Language: English - Date: 2014-09-11 04:54:10 Magnetism Electron Condensed matter physics Spin Density functional theory Physics Spintronics Quantum field theory
205	Instability, Isolation, and the Tridecompositional Uniqueness Theorem. * Matthew J. Donald The Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE, Great Britain. e-mail: web site: Add to Reading List Source URL: www.poco.phy.cam.ac.uk Language: English - Date: 2006-04-08 07:14:28 Quantum mechanics Linear algebra Functional analysis Abstract algebra Operator theory Hilbert space Wave function Tensor product of Hilbert spaces Density matrix Algebra Physics Mathematics
206	7 SCIENTIFIC HIGHLIGHT OF THE MONTH: "Electronic structure calculations with GPAW: A real-space implementation of the projector augmented-wave method" Add to Reading List Source URL: www.psi-k.org Language: English - Date: 2014-09-02 08:00:28 Quantum chemistry Partial differential equations Quantum mechanics Fourier analysis Atomic physics Schrödinger equation Atomic orbital Density functional theory Wave function Physics Chemistry Mathematical analysis
207	Probabilities for Observing Mixed Quantum States given Limited Prior Information. Matthew J. Donald The Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE, Great Britain. Add to Reading List Source URL: www.poco.phy.cam.ac.uk Language: English - Date: 2010-09-14 05:31:33 Quantum information theory Density matrix Functional analysis Quantum state Measurement in quantum mechanics Fidelity of quantum states Quantum relative entropy Physics Quantum mechanics Quantum information science
208	Continuity and Discontinuity of Definite Properties in the Modal Interpretation. By Guido Bacciagaluppi, Faculty of Philosophy, University of Cambridge, Sidgwick Avenue, Cambridge CB3 9DA, UK E-mail: gb120@ cus.cam.ac.uk Add to Reading List Source URL: www.poco.phy.cam.ac.uk Language: English - Date: 2004-12-07 06:36:47 Matrix theory Quantum mechanics Quantum information science Density matrix Eigendecomposition of a matrix Quantum state Eigenvalues and eigenvectors Holomorphic functional calculus Algebra Linear algebra Mathematics
209	Density Functional Calculations with PARAGAUSS Perspectives for modeling catalyst materials Notker Rösch Department Chemie and Add to Reading List Source URL: www.lrz.de Language: English - Date: 2014-07-28 09:29:19 Science Theoretical chemistry Hybrid functional Crystal Gaussian Computational chemistry Chemistry Density functional theory Physics
210	A Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic Beta Zeolite: An ONIOM Study with a Newly Developed Density Functional Theory Chawanwit Kumsapaya a,b, Karan Bobuatong a,b, Add to Reading List Source URL: www.nsti.org Language: English - Date: 2014-06-04 17:46:18 Zeolites Hydrogenation Chemistry Chemical engineering ZSM-5

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