Quantum-Information Theoretic Properties of Nuclei and Trapped Bose Gases

Fermionic (atomic nuclei) and bosonic (correlated atoms in a trap) systems are studied from an information-theoretic point of view. Shannon and Onicescu information measures are calculated for the above systems comparing correlated and uncorrelated cases as functions of the strength of short range correlations. One-body and two-body density and momentum distributions are employed. Thus the effect of short-range correlations on the information content is evaluated. The magnitude of distinguishability of the correlated and uncorrelated densities is also discussed employing suitable measures of distance of states i.e. the well known Kullback-Leibler relative entropy and the recently proposed Jensen-Shannon divergence entropy. It is seen that the same information-theoretic properties hold for quantum many-body systems obeying different statistics (fermions and bosons).Comment: 24 pages, 9 figures, 1 tabl

Genotypic diversity effects on biomass production in native perennial bioenergy cropping systems

Citation: Morris, G. P., Hu, Z., Grabowski, P. P., Borevitz, J. O., de Graaff, M. A., Miller, R. M., & Jastrow, J. D. (2016). Genotypic diversity effects on biomass production in native perennial bioenergy cropping systems. GCB Bioenergy. doi:10.1111/gcbb.12309Article: Version of RecordThe perennial grass species that are being developed as biomass feedstock crops harbor extensive genotypic diversity, but the effects of this diversity on biomass production are not well understood. We investigated the effects of genotypic diversity in switchgrass (Panicum virgatum) and big bluestem (Andropogon gerardii) on perennial biomass cropping systems in two experiments conducted over 2008-2014 at a 5.4-ha fertile field site in northeastern Illinois, USA. We varied levels of switchgrass and big bluestem genotypic diversity using various local and nonlocal cultivars - under low or high species diversity, with or without nitrogen inputs - and quantified establishment, biomass yield, and biomass composition. In one experiment ('agronomic trial'), we compared three switchgrass cultivars in monoculture to a switchgrass cultivar mixture and three different species mixtures, with or without N fertilization. In another experiment ('diversity gradient'), we varied diversity levels in switchgrass and big bluestem (1, 2, 4, or 6 cultivars per plot), with one or two species per plot. In both experiments, cultivar mixtures produced yields equivalent to or greater than the best cultivars. In the agronomic trial, the three switchgrass mixture showed the highest production overall, though not significantly different than best cultivar monoculture. In the diversity gradient, genotypic mixtures had one-third higher biomass production than the average monoculture, and none of the monocultures were significantly higher yielding than the average mixture. Year-to-year variation in yields was lowest in the three-cultivar switchgrass mixtures and Cave-In-Rock (the southern Illinois cultivar) and also reduced in the mixture of switchgrass and big bluestem relative to the species monocultures. The effects of genotypic diversity on biomass composition were modest relative to the differences among species and genotypes. Our findings suggest that local genotypes can be included in biomass cropping systems without compromising yields and that genotypic mixtures could help provide high, stable yields of high-quality biomass feedstocks. © 2015 John Wiley & Sons Ltd

Correlated N-boson systems for arbitrary scattering length

We investigate systems of identical bosons with the focus on two-body correlations and attractive finite-range potentials. We use a hyperspherical adiabatic method and apply a Faddeev type of decomposition of the wave function. We discuss the structure of a condensate as function of particle number and scattering length. We establish universal scaling relations for the critical effective radial potentials for distances where the average distance between particle pairs is larger than the interaction range. The correlations in the wave function restore the large distance mean-field behaviour with the correct two-body interaction. We discuss various processes limiting the stability of condensates. With correlations we confirm that macroscopic tunneling dominates when the trap length is about half of the particle number times the scattering length.Comment: 15 pages (RevTeX4), 11 figures (LaTeX), submitted to Phys. Rev. A. Second version includes an explicit comparison to N=3, a restructured manuscript, and updated figure

Optimization of Gutzwiller Wavefunctions in Quantum Monte Carlo

Gutzwiller functions are popular variational wavefunctions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize e.g. the expectation value of the energy. Rewriting the expectation value as a rational function in the Gutzwiller parameters, we find a very efficient way for performing that minimization. The method can be used to optimize general Gutzwiller-type wavefunctions both, in variational and in fixed-node diffusion Monte Carlo.Comment: 9 pages RevTeX with 10 eps figure

Effects of state dependent correlations on nucleon density and momentum distributions

The proton momentum and density distributions of closed shell nuclei are calculated within a model treating short--range correlations up to first order in the cluster expansion. The validity of the model is verified by comparing the results obtained with purely scalar correlations with those produced by finite nuclei Fermi Hypernetted Chain calculations. State dependent correlations are used to calculate momentum and density distributions of 12C, 16O, 40Ca, and 48Ca, and the effects of their tensor components are studied.Comment: 16 pages, latex, 8 figures, accepted for publication in Phys. Rev.

Bose-Einstein condensation of correlated atoms in a trap

The Bose-Einstein condensation of correlated atoms in a trap is studied by examining the effect of inter-particle correlations to one-body properties of atomic systems at zero temperature using a simplified formula for the correlated two body density distribution. Analytical expressions for the density distribution and rms radius of the atomic systems are derived using four different expressions of Jastrow type correlation function. In one case, in addition, the one-body density matrix, momentum distribution and kinetic energy are calculated analytically, while the natural orbitals and natural occupation numbers are also predicted in this case. Simple approximate expressions for the mean square radius and kinetic energy are also given.Comment: 14 pages, 19 figures, 1 Table, RevTe

Variational Monte Carlo Study of Electron Differentiation around Mott Transition

We study ground-state properties of the two-dimensional Hubbard model at half filling by improving variational Monte Carlo method and by implementing quantum-number projection and multi-variable optimization. The improved variational wave function enables a highly accurate description of the Mott transition and strong fluctuations in metals. We clarify how anomalous metals appear near the first-order Mott transition. The double occupancy stays nearly constant as a function of the on-site Coulomb interaction in the metallic phase near the Mott transition in agreement with the previous unbiased results. This unconventional metal at half filling is stabilized by a formation of ``electron-like pockets'' coexisting with an arc structure, which leads to a prominent differentiation of electrons in momentum space. An abrupt collapse of the ``pocket'' and ``arc'' drives the first-order Mott transition.Comment: 4 pages, 3 figure

Effects of Short Range Correlations on Ca Isotopes

The effect of Short Range Correlations (SRC) on Ca isotopes is studied using a simple phenomenological model. Theoretical expressions for the charge (proton) form factors, densities and moments of Ca nuclei are derived. The role of SRC in reproducing the empirical data for the charge density differences is examined. Their influence on the depletion of the nuclear Fermi surface is studied and the fractional occupation probabilities of the shell model orbits of Ca nuclei are calculated. The variation of SRC as function of the mass number is also discussed.Comment: 11 pages (RevTex), 6 Postscript figures available upon request at [email protected] Physical Review C in prin

Electrons in High-Tc Compounds: Ab-Initio Correlation Results

Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the correlation functions are analyzed in detail. These correlation functions are used to determine the effective atomic-interaction parameters for model Hamiltonians. On the resulting model, doping dependencies of the relevant correlations are investigated. Aside from the expected strong atomic correlations, particular spin correlations arise. The dominating contribution is a strong nearest neighbor correlation that is Stoner-enhanced due to the closeness of the ground state to the magnetic phase. This feature depends moderately on doping, and is absent in a single-band Hubbard model. Our calculated spin correlation function is in good qualitative agreement with that determined from the neutron scattering experiments for a metal.Comment: 21pp, 5fig, Phys. Rev. B (Oct. 98