相关论文: Existence and Optimality of $w$-Non-adjacent Forms…
We propose an ab-initio combination of the Linear Muffin-Tin Orbital and the Recursion Methods to study the effect of extended Stone-Wales defects in single layer Carbon nanotubes. We have successfully applied this to zigzag and armchair…
Lattice relaxation profoundly reshapes electronic structures in twisted materials. Prevailing treatments, however, typically rely on large-scale density functional theory (DFT), which is computationally costly and mechanistically opaque.…
Let W be an associative PI-affine algebra over a field F of characteristic zero. Suppose W is G-graded where G is a finite group. Let exp(W) and exp(W_e) denote the codimension growth of W and of the identity component W_e, respectively. We…
Classical invariant theory of a complex reflection group $W$ highlights three beautiful structures: -- the $W$-invariant polynomials constitute a polynomial algebra, over which -- the $W$-invariant differential forms with polynomial…
We present here all the real algebras $\cal{A}$ with dim$\cal{A}\leq $5 and all 6-dimensional nilpotent ones with symmetric, invariant and non-degenerate metrics for which a WZW model can be constructed. In three and four dimensions there…
The electronic properties of pure and As-doped Si nanowires with radii up to 9.53 nm are studied using large scale density functional theory (DFT) calculations. We show that, for the undoped nanowires, the DFT bandgap reduces with…
We develop various lower bounds for the numerical radius $w(A)$ of a bounded linear operator $A$ defined on a complex Hilbert space, which improve the existing inequality $w^2(A)\geq \frac{1}{4}\|A^*A+AA^*\|$. In particular, for $r\geq 1$,…
This paper studies one-dimensional non-Hausdorff manifolds that are similar to "graphs with split vertices". It is shown that if $M$ is a connected one-dimensional non-Hausdorff manifold such that the set of its "non-Hausdorff" points is…
We classify all essential extensions of the form $$0 \rightarrow \W \rightarrow \D \rightarrow A \rightarrow 0$$ where $\W$ is the unique separable simple C*-algebra with a unique tracial state, with finite nuclear dimension and with…
In this paper, we study the metrical theory of the growth rate of digits in L\"{u}roth expansions. More precisely, for $ x\in \left( 0,1 \right] $, let $ \left[ d_1\left( x \right) ,d_2\left( x \right) ,\cdots \right] $ denote the…
In this paper, we study the manifestation of exact diffeomorphism in warped extra dimension, with an emphasis on the Randall-Sundrum model. Utilizing the covariant form of variation $\delta g_{MN} = \nabla_M \xi_N + \nabla_N \xi_M$, we…
Let $k$ be an algebraically closed field of characteristic $p>0$, $W$ the ring of Witt vectors over $k$ and ${R}$ the integral closure of $W$ in the algebraic closure ${\bar{K}}$ of $K:=Frac(W)$; let moreover $X$ be a smooth, connected and…
We show that problems of existence and characterization of wavelets for non-expanding dilations are intimately connected with the geometry of numbers; more specifically, with a bound on the number of lattice points in balls dilated by the…
A density functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix gamma_{ij} as basic variable. A simple, explicit approximation to the interaction-energy functional W[gamma] of the…
Two-dimensional structures grown with Witten and Sander algorithm are investigated. We analyze clusters grown off-lattice and clusters grown with antenna method with $N_{fp}=3,4,5,6,7$ and 8 allowed growth directions. With the help of…
A lattice dynamical formalism based on nonaffine response theory is derived for non-centrosymmetric crystals, accounting for long-range interatomic interactions using the Ewald method. The framework takes equilibrated static configurations…
Two-dimensional QCD with $N_c$ colors and $N_f$ flavors of massless fermions in the fundamental representation is expected to exhibit conformal behavior in the infrared governed by a $u(N_f)$ WZW model with level $N_c$. Using numerical…
Numerical linked-cluster expansions allow one to calculate finite-temperature properties of quantum lattice models directly in the thermodynamic limit through exact solutions of small clusters. However, full diagonalization is often the…
Full-waveform inversion (FWI) is an effective method for imaging subsurface properties using sparsely recorded data. It involves solving a wave propagation problem to estimate model parameters that accurately reproduce the data. Recent…
Graph spanners and emulators are sparse structures that approximately preserve distances of the original graph. While there has been an extensive amount of work on additive spanners, so far little attention was given to weighted graphs.…