We calculated lattice parameters, binding energies, bulk moduli, and phase stabilities of some simple metals: Li, Be, Na, Mg, and Al. Our ab initio all-electron calculations were done within the framework of density functional theory using the Crystal-98 program. The accuracy of different functionals for exchange and correlation energies that go beyond the local density approximation (LDA) was ...

We present a method to correct the magnetic properties of itinerant systems in the local-spin-density approximation (LSDA), and we apply it to the ferromagnetic-paramagnetic transition under pressure in a typical itinerant system Ni3Al. We obtain a scaling of the critical fluctuations as a function of pressure equivalent to the one obtained within Moryia’s theory. Moreover, we show that in this...

In this research, structural and electronic properties of ZnCdn-1Ten clusters (n=1-10) have been studied by formalism of density functional theory and using the projector augmented wave within local density approximation. The structural properties (such as bond length/angle and coordination number), electronic and optical properties (such as binding energy, Kohn-Sham spect...

Local density fluctuations and density profiles of a Fermi gas are measured in situ and analyzed. In the quantum degenerate regime, the weakly interacting 6Li gas shows a suppression of the density fluctuations compared to the nondegenerate case, where atomic shot noise is observed. This manifestation of antibunching is a direct result of the Pauli principle and constitutes a local probe of qua...