A FEAST algorithm with oblique projection for generalized eigenvalue problems

The contour integral‐based eigensolvers are the recent efforts for computing the eigenvalues inside a given region in the complex plane. The best‐known members are the Sakurai–Sugiura method, its stable version CIRR, and the FEAST algorithm. An attractive computational advantage of these methods is that they are easily parallelizable. The FEAST algorithm was developed for the generalized Hermitian eigenvalue problems. It is stable and accurate. However, it may fail when applied to non‐Hermitian problems. Recently, a dual subspace FEAST algorithm was proposed to extend the FEAST algorithm to non‐Hermitian problems. In this paper, we instead use the oblique projection technique to extend FEAST to the non‐Hermitian problems. Our approach can be summarized as follows: (a) construct a particular contour integral to form a search subspace containing the desired eigenspace and (b) use the oblique projection technique to extract desired eigenpairs with appropriately chosen test subspace. The related mathematical framework is established. Comparing to the dual subspace FEAST algorithm, we can save the computational cost roughly by a half if only the eigenvalues or the eigenvalues together with their right eigenvectors are needed. We also address some implementation issues such as how to choose a suitable starting matrix and design‐efficient stopping criteria. Numerical experiments are provided to illustrate that our method is stable and efficient.     

Fluorescence Quenching in BODIPY Dyes: The Role of Intramolecular Interactions and Charge Transfer

The fluorescence properties of the BODIPY dye and its two meso‐substituted derivatives, tert‐butyl‐ and phenyl‐BODIPY , are rationalized. The non‐emissive behavior of the latter two are attributed to the energetically accessible low‐lying conical intersection between the ground state and the lowest excited singlet state. Both intramolecular non‐covalent interactions and excited state charge transfer character are identified as being crucial for ‘stabilizing’ the intersection and prompting the nonradiative decay. Similar crossing was located in the bare BODIPY dye, however, being energetically less accessible, which correlates well with the high fluorescence quantum yields of the parent dye.     

The eigenvalue problem for the Laplacian equations

This article studies the Dirichlet eigenvalue problem for the Laplacian equations △u = -λu, x ∈Ω, u = 0, x ∈ (δ)Ω, where Ω (∩) Rn is a smooth bounded convex domain. By using the method of appropriate barrier function combined with the maximum principle, authors obtain a sharp lower bound of the difference of the first two eigenvalues for the Dirichlet eigenvalue problem. This study improves the result of S.T.Yau et al.     

A sharp upper bound for the first eigenvalue of the Laplacian of compact hypersurfaces in rank-1 symmetric spaces

Let M be a closed hypersurface in a simply connected rank-1 symmetric space . In this paper, we give an upper bound for the first eigenvalue of the Laplacian of M in terms of the Ricci curvature of and the square of the length of the second fundamental form of the geodesic spheres with center at the center-of-mass of M.     

Construction of nonnegative symmetric matrices with given spectrum

Let σ = (λ₁, … , λ_n) be the spectrum of a nonnegative symmetric matrix A with the Perron eigenvalue λ₁, a diagonal entry c and let τ = (μ₁, … , μ_m) be the spectrum of a nonnegative symmetric matrix B with the Perron eigenvalue μ₁. We show how to construct a nonnegative symmetric matrix C with the spectrum

(λ₁+max{0,μ₁-c},λ₂,…,λ_n,μ₂,…,μ_m).     

On the connectivity of diamond-free graphs

Let G be a graph of order n(G), minimum degree δ(G) and connectivity κ(G). Chartrand and Harary [Graphs with prescribed connectivities, in: P. Erdös, G. Katona (Eds.), Theory of Graphs, Academic Press, New York, 1968, pp. 61-63] gave the following lower bound on the connectivity

κ(G)?2δ(G)+2-n(G).     

Estimates for eigenvalues of Laplacian operator with any order

Let D be a bounded domain in an n-dimensional Euclidean space Rn. Assume that 0 ＜ λ1 ≤λ2 ≤ … ≤ λκ ≤ … are the eigenvalues of the Dirichlet Laplacian operator with any order l{(-△)lu=λu, in D u=(δ)u/(δ)(→n)=…(δ)l-1u/(δ)(→n)l-1=0,on (δ)D.Then we obtain an upper bound of the (k 1)-th eigenvalue λκ 1 in terms of the first k eigenvalues.k∑i=1(λκ 1-λi) ≤ 1/n[4l(n 2l-2)]1/2{k∑i=1(λκ 1-λi)1/2λil-1/l k∑i=1(λκ 1-λi)1/2λ1/li}1/2.This ineguality is independent of the domain D. Furthermore, for any l ≥ 3 the above inequality is better than all the known results. Our rusults are the natural generalization of inequalities corresponding to the case l = 2 considered by Qing-Ming Cheng and Hong-Cang Yang. When l = 1, our inequalities imply a weaker form of Yang inequalities. We aslo reprove an implication claimed by Cheng and Yang.     

An inverse eigenvalue problem and a matrix approximation problem for symmetric skew-hamiltonian matrices

Based on the theory of inverse eigenvalue problem, a correction of an approximate model is discussed, which can be formulated as NX=XΛ, where X and Λ are given identified modal and eigenvalues matrices, respectively. The solvability conditions for a symmetric skew-Hamiltonian matrix N are established and an explicit expression of the solutions is derived. For any estimated matrix C of the analytical model, the best approximation matrix to minimize the Frobenius norm of C − N is provided and some numerical results are presented. A perturbation analysis of the solution is also performed, which has scarcely appeared in existing literatures. Supported by the National Natural Science Foundation of China(10571012, 10771022), the Beijing Natural Science Foundation (1062005) and the Beijing Educational Committee Foundation (KM200411232006, KM200611232010).