The interaction-strength interpolation method for main-group chemistry: benchmarking, limitations, and perspectives

We have tested the original interaction-strength-interpolation (ISI) exchange-correlation functional for main group chemistry. The ISI functional is based on an interpolation between the weak and strong coupling limits and includes exact-exchange as well as the G\"orling-Levy second-order energy. We have analyzed in detail the basis-set dependence of the ISI functional, its dependence on the ground-state orbitals, and the influence of the size-consistency problem. We show and explain some of the expected limitations of the ISI functional (i.e. for atomization energies), but also unexpected results, such as the good performance for the interaction energy of dispersion-bonded complexes when the ISI correlation is used as a correction to Hartree-Fock.Comment: 20 pages, 20 figure

A NATIONWIDE, STATE-LEVEL, ANALYSIS OF ANIMAL CONFINEMENT POLICY BY SELECTED SPECIES

We have addressed the impact of state environmental regulation on the livestock industry by selected two species. Beef cattle, as a leading livestock of the U.S, has experienced relatively steady structural transformation, on the other hand, hog industry has changed rapidly of its size and the location. The beef industry more or less sticks with traditional factors rather than regulation. On the other hand, the hog industry, which has more chance to adopt the stringency of state regulation during the special movement, is more sensitive by the stringency of regulation, especially in the large operation.Livestock Production/Industries,

Decidability of the Monadic Shallow Linear First-Order Fragment with Straight Dismatching Constraints

The monadic shallow linear Horn fragment is well-known to be decidable and has many application, e.g., in security protocol analysis, tree automata, or abstraction refinement. It was a long standing open problem how to extend the fragment to the non-Horn case, preserving decidability, that would, e.g., enable to express non-determinism in protocols. We prove decidability of the non-Horn monadic shallow linear fragment via ordered resolution further extended with dismatching constraints and discuss some applications of the new decidable fragment.Comment: 29 pages, long version of CADE-26 pape

Density functional theory for strongly-interacting electrons: Perspectives for Physics and Chemistry

Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three years, the mathematical structure of the strong-interaction limit of density functional theory has been uncovered, and exact information on this limit has started to become available. The aim of this paper is to give a perspective on how this new piece of exact information can be used to treat situations that are problematic for standard Kohn-Sham DFT. One way to use the strong-interaction limit, more relevant for solid-state physical devices, is to define a new framework to do practical, non-conventional, DFT calculations in which a strong-interacting reference system is used instead of the traditional non-interacting one of Kohn and Sham. Another way to proceed, more related to chemical applications, is to include the exact treatment of the strong-interaction limit into approximate exchange-correlation energy density functionals in order to describe difficult situations such as the breaking of the chemical bond. © 2010 the Owner Societies

ENVIRONMENTAL POLICY INFLUENCES ON LIVESTOCK STOCKING AND LOCATION DECISIONS

This paper explores the relationship between state level environmental regulations and stocking and location decisions in the U.S livestock and poultry industry (beef, chicken, dairy and hogs). Rather than conduct this analysis on a species-by-species basis, we choose to focus upon the overall size of the livestock industry (expressed in animal units) and the size of industry found on large, medium and small operations by state (48) and over time (28 yrs). Results indicate that industry may drive policy rather than the converse. However, since we also find that existing policy rules have differential impacts on the industry by operation size, we conclude that structural change in the industry may be driven in part by size or legal structure discriminating regulations.Demand and Price Analysis, Livestock Production/Industries,

Strictly correlated uniform electron droplets

We study the energetic properties of finite but internally homogeneous D-dimensional electron droplets in the strict-correlation limit. The indirect Coulomb interaction is found to increase as a function of the electron number, approaching the tighter forms of the Lieb-Oxford bound recently proposed by Rasanen et al. [Phys. Rev. Lett. 102, 206406 (2009)]. The bound is satisfied in three-, two-, and one-dimensional droplets, and in the latter case it is reached exactly - regardless of the type of interaction considered. Our results provide useful reference data for delocalized strongly correlated systems, and they can be used in the development and testing of exchange-correlation density functionals in the framework of density-functional theory

Adiabatic connection at negative coupling strengths

The adiabatic connection of density functional theory (DFT) for electronic systems is generalized here to negative values of the coupling strength $\alpha$ (with {\em attractive} electrons). In the extreme limit $\alpha\to-\infty$ a simple physical solution is presented and its implications for DFT (as well as its limitations) are discussed. For two-electron systems (a case in which the present solution can be calculated exactly), we find that an interpolation between the limit $\alpha\to-\infty$ and the opposite limit of infinitely strong repulsion ($\alpha\to+\infty$) yields a rather accurate estimate of the second-order correlation energy E\cor\glt[\rho] for several different densities $\rho$, without using virtual orbitals. The same procedure is also applied to the Be isoelectronic series, analyzing the effects of near-degeneracy.Comment: 9 pages, submitted to PR

On Functionality of Visibly Pushdown Transducers

Visibly pushdown transducers form a subclass of pushdown transducers that (strictly) extends finite state transducers with a stack. Like visibly pushdown automata, the input symbols determine the stack operations. In this paper, we prove that functionality is decidable in PSpace for visibly pushdown transducers. The proof is done via a pumping argument: if a word with two outputs has a sufficiently large nesting depth, there exists a nested word with two outputs whose nesting depth is strictly smaller. The proof uses technics of word combinatorics. As a consequence of decidability of functionality, we also show that equivalence of functional visibly pushdown transducers is Exptime-Complete.Comment: 20 page