19,092 research outputs found

    Electric and Magnetic fields due to Dirac particles in FRW spacetime

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    Some solutions of the Maxwell equations with Dirac particles for the source in FRW spacetime are discussed. The Green's function of the equation for the radial component of the Maxwell fields, F_{r\eta} and F_{\theta\phi} is solved. Green's function is found to reduce to that of Minkowskian spacetime in the appropriate limit. Also, the Lienard-Wiechert type solution is derived. Also, the solutions with the Dirac particle current is also presented. It is found that the F_{r\eta} is composed of even angular momentum states while the odd states constitue F_{\theta\phi} .Comment: 8 pages including 2 figure

    Spectral density and metal-insulator phase transition in Mott insulators within RDMFT

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    We present a method for calculating the spectrum of periodic solids within reduced density matrix functional theory. This method is validated by a detailed comparison of the angular momentum projected spectral density with that of well established many-body techniques, in all cases finding an excellent agreement. The physics behind the pressure induced insulator-metal phase transition in MnO is investigated. The driving mechanism of this transition is identified as increased crystal field splitting with pressure, resulting in a charge redistribution between the Mn ege_g and t2gt_2g symmetry projected states.Comment: arXiv admin note: text overlap with arXiv:0912.111

    Reduced Density Matrix Functional for Many-Electron Systems

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    Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this produces more accurate results for both finite systems. Moreover, it captures the correct band gap behavior for conventional semiconductors as well as strongly correlated Mott insulators, where a gap is obtained in absence of any magnetic ordering.Comment: 4 figs and 1 tabl

    Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem

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    Popular density functionals for the exchange-correlation energy typically fail to reproduce the degeneracy of different ground states of open-shell atoms. As a remedy, functionals which explicitly depend on the current density have been suggested. We present an analysis of this problem by investigating functionals that explicitly depend on the Kohn-Sham orbitals. Going beyond the exact-exchange approximation by adding correlation in the form of the Colle-Salvetti functional we show how current-dependent terms enter the Colle-Salvetti expression and their relevance is evaluated. A very good description of the degeneracy of ground-states for atoms of the first and second row of the periodic table is obtained
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