相关论文: Graph-theoretical evaluation of the inelastic prop…
A new perturbational approach to spectral and thermal properties of strongly correlated electron systems is presented: The Anderson model is reexamined for $U\to\infty$\,, and it is shown that an expansion of Green's functions with respect…
Expressions for the thermodynamic and transport properties of plasmas are derived from quantum statistics in the form of equilibrium correlation functions. These can be evaluated using analytical methods or numerical approaches such as…
Using a Green's function approach, we investigate band structure effects in the BEEM current distribution in reciprocal space. In the elastic limit, this formalism provides a 'parameter free' solution to the BEEM problem. At low…
We present a novel potential model for calculating the interaction between a molecule and a single graphene sheet. The dispersion/repulsion, induction, dipole-quadrupole, quadrupole-quadrupole interactions between a fluid molecule and a…
Simulations with an explicit description of intermolecular forces using electronic structure methods are still not feasible for many systems of interest. As a result, empirical methods such as force fields (FF) have become an established…
Measurement incompatibility--the impossibility of jointly measuring certain quantum observables--is a fundamental resource for quantum information processing. We develop a graph-theoretic framework for quantifying this resource for large…
In this paper we introduce a nonextensive quantum information theoretic measure which may be defined between any arbitrary number of density matrices, and we analyze its fundamental properties in the spectral graph-theoretic framework.…
We analyze behavior of correlated electrons described by Hubbard-like models at intermediate and strong coupling. We show that with increasing interaction a pole in a generic two-particle Green function is approached. The pole signals…
A general formula for the orbital magnetic moment of interacting electrons in solids is derived using the many-electron Green function method. The formula factorizes into two parts, a part that contains the information about the…
We present analytical treatment of quantum walks on a cycle graph. The investigation is based on a realistic physical model of the graph in which decoherence is induced by continuous monitoring of each graph vertex with nearby quantum point…
We analyze, in general terms, the evolution of energy levels in quantum mechanics, as a function of a coupling parameter, and demonstrate the possibility of level crossings in systems described by irreducible matrices. In long-range…
We develop a theoretical framework for describing superposed coherent states in graphene quantum systems using the concept of catability as a phase-sensitive metric functional measure. In this case, the formalism quantifies interference…
In this work we introduce a concept of complexity for undirected graphs in terms of the spectral analysis of the Laplacian operator defined by the incidence matrix of the graph. Precisely, we compute the norm of the vector of eigenvalues of…
This paper is devoted to development of perturbation theory for studying the properties of graphene sheet of finite size, at nonzero temperature and chemical potential. The perturbation theory is based on the tight-binding Hamiltonian and…
Generative methods for graphs need to be sufficiently flexible to model complex dependencies between sets of nodes. At the same time, the generated graphs need to satisfy domain-dependent feasibility conditions, that is, they should not…
In order to improve the resilience of computer infrastructure against cyber attacks and finding ways to mitigate their impact we need to understand their structure and dynamics. Here we propose a novel network-based influence spreading…
We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of $O(N_{\rm e}^3$), where $N_{\rm e}$ is the number of electrons. The cubic scaling…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
The diffraction of fast atoms at crystal surfaces is ideal for a detailed investigation of the surface electronic density. However, instead of sharp diffraction spots, most experiments show elongated streaks characteristic of inelastic…
Constructing gene regulatory networks is a fundamental task in systems biology. We introduce a Gaussian reciprocal graphical model for inference about gene regulatory relationships by integrating mRNA gene expression and DNA level…