Ab initio molecular dynamics for liquid metals

References

Page 1

	Year	Citations
Self-Consistent Equations Including Exchange and Correlation Effects W. Kohn, L. J. Sham Physical Review Quantum DynamicDynamic EquilibriumEngineeringComputational ChemistryElectronic Structure	1965	61.8K
<i>Ab initio</i>molecular dynamics for liquid metals Georg Kresse, J. Häfner Physical review. B, Condensed matter Quantum LiquidLiquid MetalsEngineeringPhysicsNatural Sciences	1993	43.6K
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism David Vanderbilt Physical review. B, Condensed matter EngineeringFirst-principles PseudopotentialsFunctional AnalysisGeometric QuantizationElectronic Structure	1990	22.6K
<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Georg Kresse, J. Häfner Physical review. B, Condensed matter EngineeringComputational ChemistryChemistryElectronic PropertiesEnergy Minimization	1994	22K
A unified formulation of the constant temperature molecular dynamics methods Shūichi Nosé The Journal of Chemical Physics EngineeringCanonical DistributionRigorous Canonical DistributionComputational ChemistryChemistry	1984	18.3K
Savitzky-Golay Smoothing Filters William H. Press, Saul A. Teukolsky Computers in Physics Filtering TechniqueFilter DesignInverse ProblemsSavitzky-golay Smoothing FiltersApproximation Theory	1990	11.6K
Unified Approach for Molecular Dynamics and Density-Functional Theory Roberto Car, Michele Parrinello Physical Review Letters Molecular SolidCrystalline SiliconEngineeringPhysicsNatural Sciences	1985	10.6K
Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients M. C. Payne, M. P. Teter, D. C. Allan, Reviews of Modern Physics Numerical AnalysisEngineeringComputational ChemistryEnergy MinimizationMolecular Dynamics	1992	9.5K
<i>Ab initio</i>molecular dynamics for open-shell transition metals Georg Kresse, J. Häfner Physical review. B, Condensed matter Quantum LiquidEngineeringComputational ChemistryChemistryElectronic Structure	1993	8K
The density functional formalism, its applications and prospects R. Jones, O. Gunnarsson Reviews of Modern Physics Localized Excited StateEngineeringGround-state PropertiesComputational ChemistryChemistry	1989	3.9K

Page 1