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We implement, optimize, and validate the linear-scaling Kubo-Greenwood quantum transport simulation on graphics processing units by examining resonant scattering in graphene. We consider two practical representations of the Kubo-Greenwood…
Numeric modeling of electromagnetics and acoustics frequently entails matrix-vector multiplication with block Toeplitz structure. When the corresponding block Toeplitz matrix is not highly sparse, e.g. when considering the electromagnetic…
We introduce Neural Green's Function, a neural solution operator for linear partial differential equations (PDEs) whose differential operators admit eigendecompositions. Inspired by Green's functions, the solution operators of linear PDEs…
We present a complete prescription for the numerical calculation of surface Green's functions and self-energies of semi-infinite quasi-onedimensional systems. Our work extends the results of Sanvito et al. [1] generating a robust algorithm…
A new approximate computational framework is proposed for computing the non-equilibrium charge density in the context of the non-equilibrium Green's function (NEGF) method for quantum mechanical transport problems. The framework consists of…
Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model whose thermodynamical properties can be computed from its grand canonical potential according to standard procedures. In general, there is no closed…
Many applications of Green's functions (GFs) require their evaluation over intervals or at multiple points, motivating quantum algorithms that return an efficiently computable functional representation rather than mere point estimates. We…
We exhibit a weight-preserving bijection between semi-standard Young tableaux and semi-skyline augmented fillings to provide a combinatorial proof that the Schur functions decompose into nonsymmetric functions indexed by compositions. The…
On the basis of spin and pairing fluctuation-exchange approximation, we study the superconductivity in quasi-two-dimensional Hubbard model. The integral equations for the Green's function are self-consistently solved by numerical…
Green's functions are highly useful in analyzing the dynamical behavior of polynomials in their escaping set. The aim of this paper is to construct an analogue of Green's functions for planar quasiregular mappings of degree two and constant…
Shor's factoring algorithm illustrates the potential power of quantum computation. Here we present and numerically investigate a proposal for a compiled version of such an algorithm based on a quantum-wire network exploiting the…
The steady-state electronic transport across periodically driven systems can be efficiently addressed using Landauer-B\"{u}ttiker formalism. The time-dependent nonequilibrium Green's function theory then may be adapted for developing direct…
Convolution with Green's function of a differential operator appears in a lot of applications e.g. Lippmann-Schwinger integral equation. Algorithms for computing such are usually non-trivial and require non-uniform mesh. However, recently…
We look at estimates for the Green's function of time-fractional evolution equations of the form $D^{\nu}_{0+*} u = Lu$, where $D^{\nu}_{0+*}$ is a Caputo-type time-fractional derivative, depending on a L\'evy kernel $\nu$ with variable…
The rising interest in Dirac materials, condensed matter systems where low-energy electronic excitations are described by the relativistic Dirac Hamiltonian, entails a need for microscopic effective models to analytically describe their…
It has been shown that the Schwinger-Dyson equations for non-Hermitian theories implicitly include the Hilbert-space metric. Approximate Green functions for such theories may thus be obtained, without having to evaluate the metric…
Efficient computation of lattice defect geometries such as point defects, dislocations, disconnections, grain boundaries, interfaces and free surfaces requires accurate coupling of displacements near the defect to the long-range elastic…
We present a numerically stable Quantum Monte Carlo algorithm to calculate zero-temperature imaginary-time Green functions $ G(\vec{r}, \tau) $ for Hubbard type models. We illustrate the efficiency of the algorithm by calculating the…
The Quantum Singular Value Transformation (QSVT) is a technique that provides a unified framework for describing many of the quantum algorithms discovered to date. We implement a noise-free simulation of the technique to investigate how it…
We develop a new semiclassical approach, which starts with the density matrix given by the Euclidean time path integral with fixed coinciding endpoints, and proceed by identifying classical (minimal Euclidean action) path, to be referred to…