Density functional theory

Results: 328



#Item
241Theoretical chemistry / Computational chemistry / Atomic physics / Computational physics / Hartree–Fock method / Density functional theory / Electronic correlation / Electron / Crystal / Chemistry / Physics / Quantum chemistry

Microsoft Word - Ch1_Catlow_Edited.doc

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Source URL: media.wiley.com

Language: English - Date: 2013-09-01 10:16:14
242Theoretical chemistry / Atomic physics / Quantum chemistry / Intermolecular forces / GAMESS / Crystal / Polarizability / ACES / Density functional theory / Chemistry / Science / Computational chemistry

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Source URL: www-stone.ch.cam.ac.uk

Language: English - Date: 2014-07-01 09:09:46
243Theoretical chemistry / Biological matter / Lipid bilayer / Membrane biology / Density functional theory / Molecular dynamics / Quantum chemistry / Chemical potential / Dynamical system / Chemistry / Science / Molecular modelling

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Source URL: media.wiley.com

Language: English - Date: 2013-08-22 07:17:24
244Blue Gene / Density functional theory / Nuclear magnetic resonance / OpenMP / Computing / Parallel computing / Computer programming

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Source URL: www.hpc.cineca.it

Language: English - Date: 2013-07-17 05:36:40
245Theoretical chemistry / Computational chemistry / Atomic physics / Hartree–Fock method / Density functional theory / Variational method / Born–Oppenheimer approximation / Electron / Crystal / Chemistry / Physics / Quantum chemistry

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Source URL: meche.mit.edu

Language: English - Date: 2012-05-09 14:16:04
246Science / SIESTA / Electronic band structure / Hybrid functional / Ab initio / Molecular dynamics / CP2K / CONQUEST / PSI / Density functional theory / Physics / Chemistry

Research Networking Programme Advanced Concepts in ab-initio Simulations of Materials (Psi-k2) Standing Committee for Physical and Engineering Sciences (PESC)

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Source URL: www.esf.org

Language: English - Date: 2012-02-08 05:18:35
247Jaguar / MADNESS / Quasiparticle / Cray / Oak Ridge National Laboratory / FLOPS / National Center for Computational Sciences / Density functional theory / Computing / Physics / Supercomputers

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

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Source URL: www.unedf.org

Language: English - Date: 2008-09-30 07:48:51
248Baryons / Density functional theory / Theoretical chemistry / Nuclear force / Ab initio quantum chemistry methods / Neutron / Nuclear structure / Three-body force / Nuclear matter / Physics / Chemistry / Nuclear physics

facilities and methods Downloaded by [Oak Ridge National Laboratory], [Witold Nazarewicz] at 13:47 15 July 2011 The UNEDF Project Overview

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Source URL: www.unedf.org

Language: English - Date: 2011-07-16 19:52:13
249Analytic number theory / Riemann zeta function / Explicit formula / Integral calculus / Multivariable calculus / Operator theory / Symbol / Holomorphic functional calculus / Mathematical analysis / Mathematics / Calculus

THE INGHAM-HUXLEY ZERO-DENSITY THEOREM Notes by Tim Jameson Introduction We show that for σ ≥ 12 , T ≥ 2, the number of zeros (counting multiplicity) ρ = β + iγ of ζ(s) with σ ≤ β ≤ 1 and 0 < γ ≤ T is N

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Source URL: www.maths.lancs.ac.uk

Language: English - Date: 2013-12-02 05:16:45
250Electron / Atomic physics / Nanotechnology / Electromagnetism / Surface plasmon resonance / Nanoparticle / Ionization energy / Electronic correlation / Density functional theory / Chemistry / Physics / Quantum chemistry

i Paul-Gerhard Reinhard, Phuong M Dinh, and Eric Suraud: An Introduction to Cluster Science — [removed] — page 169 — le-tex i

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Source URL: www.wiley-vch.de

Language: English - Date: 2013-10-08 04:00:07
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