Electron localization function

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1	THE JOURNAL OF CHEMICAL PHYSICS 125, 024301 共2006兲 Electron localization function at the correlated level Eduard Matito Institut de Química Computacional, Universitat de Girona, 17071 Girona, Catalonia, Spain and D Add to Reading List Source URL: dugi-doc.udg.edu Language: English - Date: 2013-05-13 07:34:30 Quantum mechanics Chemical bonding Atomic physics Computational chemistry Electron Electron localization function Density functional theory Electronic correlation Hartree–Fock method Physics Chemistry Quantum chemistry
2	A grid-based Bader analysis algorithm without lattice bias Add to Reading List Source URL: theory.cm.utexas.edu Language: English - Date: 2009-03-19 23:26:16 Science Atoms in molecules Crystal Electron localization function Molecular dynamics Grid method multiplication Chemistry Chemical bonding Quantum chemistry