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Volumn 21, Issue 2, 2002, Pages 97-104
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Introduction to density-functional theory and ab-initio molecular dynamics
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Author keywords
[No Author keywords available]
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Indexed keywords
ATOMS;
CARBON NANOTUBES;
CHEMICAL BONDS;
COMPUTATION THEORY;
CONDENSED MATTER PHYSICS;
CRYSTALLINE MATERIALS;
DIGITAL COMPUTERS;
ELECTRONIC STRUCTURE;
GROUND STATE;
INTERFACES (MATERIALS);
KINETIC ENERGY;
KINETICS;
LIGANDS;
MOLECULAR DYNAMICS;
QUANTUM CHEMISTRY;
REACTION KINETICS;
YARN;
AB INITIO MOLECULAR DYNAMICS;
APPROXIMATE EXPRESSIONS;
ATOMIC MOTION;
DENSITY-FUNCTIONAL THEORY CALCULATIONS;
DENSITY-FUNCTIONAL-THEORY;
ELECTRONIC.STRUCTURE;
EXCHANGE ENERGY;
FERMI 2;
FERMI-DIRAC;
GROUND-STATE ENERGIES;
DENSITY FUNCTIONAL THEORY;
AB INITIO CALCULATION;
ATOM;
BIOMEDICINE;
DENSITY FUNCTIONAL THEORY;
ELECTRON;
ELECTRON TRANSPORT;
ENERGY TRANSFER;
MOLECULAR DYNAMICS;
MOTION;
PHYSICAL CHEMISTRY;
PRIORITY JOURNAL;
QUANTUM MECHANICS;
REVIEW;
THEORY;
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EID: 0036326676
PISSN: 09318771
EISSN: None
Source Type: Journal
DOI: 10.1002/1521-3838(200207)21:2<97::AID-QSAR97>3.0.CO;2-6 Document Type: Review |
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Times cited : (49)
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References (19)
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