Abstract By exploiting an abstract critical-point result for differentiable and parametric functionals, we show the existence of infinitely many weak solutions nonlinear elliptic equations with nonhomogeneous boundary conditions. More accurately, determine some intervals parameters such that treated problem admits either unbounded sequence or a pairwise distinct strongly converges to zero. No s...

Positive definite kernels, such as Gaussian Radial Basis Functions (GRBF), have been widely used in computer vision for designing feature extraction and classification algorithms. In many cases nonpositive definite (npd) kernels and non metric similarity/dissimilarity measures naturally arise (e.g., Hausdorff distance, Kullback Leibler Divergences and Compact Support (CS) Kernels). Hence, there...

We report a detailed DFT study of the energetic and structural properties of the spin-crossover Co(ii) complex [Co(tpy)(2)](2+) (tpy = 2,2':6',2''-terpyridine) in the low-spin (LS) and the high-spin (HS) states, using several generalized gradient approximation and hybrid functionals. In either spin-state, the results obtained with the functionals are consistent with one another and in good agre...

We propose a generalization of the Ornstein-Uhlenbeck process in 1 + 1 dimensions which is the product of a temporal Ornstein-Uhlenbeck process with a spatial one and has exponentially decaying autocorrelation. The generalized Langevin equation of the process, the corresponding Fokker-Planck equation, and a discrete integral algorithm for numerical simulation is given. The process is an alterna...

Sufficient conditions are given for validity of the discrete Newton-Leibniz formula when the indefinite sum is obtained either by Gosper’s algorithm or by Accurate Summation algorithm. It is shown that sometimes a polynomial can be factored from the summand in such a way that the safe summation range is inreased.

We obtain factorized domain wall partition functions for two sets of trigonometric vertex models: 1. The N-state Deguchi-Akutsu models, for N ∈ {2, 3, 4} (and conjecture the result for all N ≥ 5), and 2. The sl(r+1|s+1) Perk-Schultz models, for {r, s ∈ N}, where (given the symmetries of these models) the result is independent of {r, s}. 0. Introduction Domain wall partition functions (DWPF’s) w...

A classical theorem due to R. Phelps states that if C is a weakly compact set in a Banach space E, the strongly exposing functionals form a dense subset of the dual space E. In this paper, we look at the concrete situation where C € L1pRdq is the closed convex hull of the set of random variables Y P L1pRdq having a given law ν. Using the theory of optimal transport, we show that every random va...

Recently, exchange-correlation potentials in density functional theory were developed with the goal of providing improved band gaps in solids. Among them, the semilocal potentials are particularly interesting for large systems since they lead to calculations that are much faster than with hybrid functionals or methods like GW. We present an exhaustive comparison of semilocal exchange-correlatio...

We evaluate the performance of different van der Waals (vdW) corrected density functional theory (DFT) methods in predicting the structure of perfect interfaces between the LiF(001), MgO(001), NiO(001) films on the Ag(001) surface and the resulting work function shift of Ag(001). The results demonstrate that including the van der Waals interaction is important for obtaining accurate interface s...