Reduced Density Matrix Functional for Many-Electron Systems

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

Reply on `comment on our paper `Single two-level ion in an anharmonic-oscillator trap: Time evolution of the Q function and population inversion ''

We show here that the model Hamiltonian used in our paper for ion vibrating in a q-analog harmonic oscillator trap and interacting with a classical single-mode light field is indeed obtained by replacing the usual bosonic creation and annihilation operators of the harmonic trap model by their q-deformed counterparts. The approximations made in our paper amount to using for the ion-laser interaction in a q-analog harmonic oscillator trap, the operator F_{q}=exp{-(|\epsilon|^2}/2)}exp{i\epsilon A^{\dagger}}exp{i\epsilon A}, which is analogous to the corresponding operator for ion in a harmonic oscillator trap that is $F=exp{-(|\epsilon|^2 /2)}exp{i\epsilon a^{\dagger }}exp{i\epsilon a}$. In our article we do not claim to have diagonalized the operator, $F_q = exp{i \epsilon (A^{\dagger}+A)}$, for which the basis states |g,m> and |e,m> are not analytic vectors.Comment: Revtex, 4pages. To be Published in Physical Review A59, NO.4(April 99

Decoherence of tripartite states - a trapped ion coupled to an optical cavity

We investigate the non-dissipative decoherence of three qubit system obtained by manipulating the state of a trapped two-level ion coupled to an optical cavity. Modelling the environment as a set of noninteracting harmonic oscillators, analytical expressions for the state operator of tripartite composite system, the probability of generating maximally entangled GHZ state, and the population inversion have been obtained. The pointer observable is the energy of the isolated quantum system. Coupling to environment results in exponential decay of off diagonal matrix elements of the state operator with time as well as a phase decoherence of the component states. Numerical calculations to examine the time evolution of GHZ state generation probability and population inversion for different system environment coupling strengths are performed. Using negativity as an entanglement measure and linear entropy as a measure of mixedness, the entanglement dynamics of the tripartite system in the presence of decoherence is analysed.Comment: Revised version, errors corrected and references added. 12 pages, 6 figures, Presented at ICSSUR May 2005, Besancon, Franc

The generalized gradient approximation kernel in time-dependent density functional theory

A complete understanding of a material requires both knowledge of the excited states as well as of the ground state. In particular, the low energy excitations are of utmost importance while studying the electronic, magnetic, dynamical, and thermodynamical properties of the material. Time-Dependent Density Functional Theory (TDDFT), within the linear regime, is a successful \textit{ab-initio} method to access the electronic charge and spin excitations. However, it requires an approximation to the exchange-correlation (XC) kernel which encapsulates the effect of electron-electron interactions in the many-body system. In this work we derive and implement the spin-polarized XC kernel for semi-local approximations such as the adiabatic Generalized Gradient Approximation (AGGA). This kernel has a quadratic dependence on the wavevector, {\bf q}, of the perturbation, however the impact of this on the electron energy loss spectra (EELS) is small. Although the GGA functional is good in predicting structural properties, it generality overestimates the exchange spin-splitting. This leads to higher magnon energies, as compared to both ALDA and experiment. In addition, interaction with the Stoner spin-flip continuum is enhanced by AGGA, which strongly suppresses the intensity of spin-waves.Comment: 11 pages, 7 figure

Production of nuclei and antinuclei in pp and Pb-Pb collisions with ALICE at the LHC

We present first results on the production of nuclei and antinuclei such as (anti)deuterons, (anti)tritons, (anti)3He and (anti)4He in pp collisions at \s = 7 TeV and Pb-Pb collisions at \sNN = 2.76 TeV. These particles are identified using their energy loss (dE/dx) information in the Time Projection Chamber of the ALICE experiment. The Inner Tracking System gives a precise determination of the event vertex, by which primary and secondary particles are separated. The high statistics of over 360 million events for pp and 16 million events for Pb-Pb collisions give a significant number of light nuclei and antinuclei (Pb-Pb collisions: \sim30,000 anti-deuterons($\bar{d}$) and \sim4 anti-alpha($\bar{^4He}$)). The predictions of various particle ratios from the THERMUS model is also discussed.Comment: 4 pages, 5 figures, parallel talk at Quark Matter 2011, May 23rd-28th 2011, Annecy, Franc

Frequency of fungi at different heights of Dongargarh, India

Frequency of fungi at different height of Dongargarh was studied with the help of Petriplate method. Total 389 fungal colonies represented 31 fungal types from altitude and 18 fungal floras were isolated from ground level during the present investigation period. The fungal species were Cladosporium oxysporium, Fusarium Mycelia sterilia, Aspergillus, Penicillium, Curvularia, Cladosporium, Rhizopus,Trichoderma species were observed. Aspergillus niger observed as most frequent fungi from both side, altitude (83.33%) as well as ground level (75%). While minimum percentage frequency (8.33%) is observed for Neosartorya fischeri and A.terreus. on hill-top and A. oryzae, Dictyochlamydospora, Fusarium pallidoroseum at ground level