Cohesive energy of 3d transition metals: Density functional theory atomic and bulk calculations.
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Biomedical subjects
EJ Baerends
Publications and source records attributed to EJ Baerends.
Competition between vibrational excitation and dissociation in collisions of H2 with Cu(100).
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Effect of molecular dissociation on the exchange-correlation Kohn-Sham potential.
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Energy expressions in density-functional theory using line integrals.
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Self-consistent approximation to the Kohn-Sham exchange potential.
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Molecular Kohn-Sham exchange-correlation potential from the correlated ab initio electron density.
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Exchange-correlation potential with correct asymptotic behavior.
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Precise density-functional method for periodic structures.
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Analysis of correlation in terms of exact local potentials: Applications to two-electron systems.
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Interaction of F and Cl with silicon surfaces.
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Hyperthermal alkali-ion scattering from a metal surface: A theoretical study of the potential.
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