All-electron local and gradient-corrected density-functional calculations of Nan dipole polarizabilities for n=1-6.
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Biomedical subjects
DR Salahub
Publications and source records attributed to DR Salahub.
Density-functional calculations for small iron clusters: Fen, Fen+, and Fen- for n <= 5.
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Simple but efficient correlation functional from a model pair-correlation function.
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Gradient-free exchange-correlation functional beyond the local-spin-density approximation.
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Assessment of Kohn-Sham density-functional orbitals as approximate Dyson orbitals for the calculation of electron-momentum-spectroscopy scattering cross sections.
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Core-level shifts from density-functional computations.
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Theoretical study of the structure and binding of iron clusters: Fen (n <= 5).
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Density-functional study of niobium clusters.
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Self-consistent implementation of nonlocal exchange and correlation in a Gaussian density-functional method.
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Theoretical determination of work functions and adsorption energies of atoms on metal surfaces from small-cluster calculations: A local-spin-density approach.
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