相关论文: Arrow diagram method based on overlapping electron…

We present principles of algebraic diversity (AD), a group-theoretic approach to signal processing exploiting signal symmetry to extract more information per observation, complementing classical methods that use temporal and spatial…

We develop a calculus for diagrams of knotted objects. We define Arrow presentations, which encode the crossing informations of a diagram into arrows in a way somewhat similar to Gauss diagrams, and more generally w-tree presentations,…

The overlap Dirac operator at nonzero quark chemical potential involves the computation of the sign function of a non-Hermitian matrix. In this talk we present an iterative method, first proposed by us in Ref. [1], which allows for an…

The Arrow Decomposition (AD) technique, initially introduced in [Mathematical Programming 190(1-2) (2021), pp 105-134], demonstrated superior scalability over the classical chordal decomposition in the context of Linear Matrix Inequalities…

The supersymmetric method is a powerful method for the evaluation of quenched averages in disordered systems. Among others, this method has been applied to the theory of S-matrix fluctuations, the theory of universal conductance…

We present algebraic diagrammatic construction theory for simulating spin-orbit coupling and electron correlation in charged electronic states and photoelectron spectra. Our implementation supports Hartree-Fock and multiconfigurational…

The overlap Dirac operator in lattice QCD requires the computation of the sign function of a matrix. While this matrix is usually Hermitian, it becomes non-Hermitian in the presence of a quark chemical potential. We show how the action of…

A diagrammatic method is presented for averaging over the circular ensemble of random-matrix theory. The method is applied to phase-coherent conduction through a chaotic cavity (a ``quantum dot'') and through the interface between a normal…

We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…

We report a new implementation of multireference algebraic diagrammatic construction theory (MR-ADC) for simulations of electron attachment and ionization in strongly correlated molecular systems (EA/IP-MR-ADC). Following our recent work on…

Graph transformation systems have the potential to be realistic models of chemistry, provided a comprehensive collection of reaction rules can be extracted from the body of chemical knowledge. A first key step for rule learning is the…

The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…

We formulate a Hartree-Fock-LAPW method for electronic band structure calculations. The method is based on the Hartree-Fock-Roothaan approach for solids with extended electron states and closed core shells where the basis functions of…

We present a multi-reference generalization of the algebraic diagrammatic construction theory (ADC) [J. Schirmer, Phys. Rev. A 26, 2395 (1982)] for excited electronic states. The resulting multi-reference ADC approach (MR-ADC) can be…

The Adomian decomposition method (ADM) is a universal approach to solving governing equations in various engineering and technological applications. The applicability of the ADM is almost limitless due to its universal applicability, but…

We present here a Finite Element Method devoted to the simulation of 3D periodic structures of arbitrary geometry. The numerical method based on ARPACK and PARDISO libraries, is discussed with the aim of extracting the eigenmodes of…

We present an implementation and benchmark of new approximations in multireference algebraic diagrammatic construction theory for simulations of neutral electronic excitations and UV/Vis spectra of strongly correlated molecular systems…

In QCD sum-rule methods, the fundamental field-theoretical quantities are correlation functions of composite operators that serve as hadronic interpolating fields. One of the challenges of loop corrections to QCD correlation functions in…

We give a definition of an integer-valued function $\sum_i \alpha_i x ^*_i$ derived from arrow diagrams for the ambient isotopy classes of oriented spherical curves. Then, we introduce certain elements of the free $\mathbb{Z}$-module…

Analog layout synthesis requires some elements in the circuit netlist to be matched and placed symmetrically. However, the set of symmetries is very circuit-specific and a versatile algorithm, applicable to a broad variety of circuits, has…