Related papers: Efficient temperature-dependent Green's function m…
We present a simple and efficient technique in ab initio electronic-structure calculation utilizing real-space double-grid with a high density of grid points in the vicinity of nuclei. This technique promises to greatly reduce the overhead…
HHL algorithm \cite{harrow} to solve linear system is a powerful and efficient quantum technique to deal with many matrix operations (such as matrix multiplication, powers and inversion). It inspires many applications in quantum machine…
An improved unified formulation based on the effective field theory is introduced for a spin-1/2 Ising model with nearest neighbor interactions with arbitrary coordination number z. Present formulation is capable of calculating all the…
The energy dependent Green's function for an interface Hamiltonian which interpolates between two and three dimensions can be calculated explicitly. This yields an expression for the density of states on the interface which interpolates…
Various effective temperature scales have been proposed over the years. Despite much work and the high internal precision usually achieved, systematic differences of order 100 K (or more) among various scales are still present. We present…
We present and benchmark quantum computing approaches for calculating real-time single-particle Green's functions and nonlinear susceptibilities of Hamiltonian systems. The approaches leverage adaptive variational quantum algorithms for…
We introduce the Green's functions technique as an alternative theory to the quantum regression theorem formalism for calculating the two-time correlation functions in open quantum systems. In particular, we investigate the potential of…
The open-source library, irbasis, provides easy-to-use tools for two sets of orthogonal functions named intermediate representation (IR). The IR basis enables a compact representation of the Matsubara Green's function and efficient…
Employing the self-consistent Green's function approach, we studied the temperature dependence of the spin-wave stiffness in diluted magnetic semiconductors. Note that the Green's function approach includes the spatial and temperature…
An algorithm is presented to calculate the electronic local time-dependent Green's operator for manganites-related hamiltonians. This algorithm is proved to scale with the number of states $N$ in the Hilbert-space to the 1.55 power, is able…
We present a method for analytic continuation of retarded Green functions, including Euclidean Green functions computed using lattice QCD. The method is based on conformal maps and construction of an interpolation function which is analytic…
In this paper, we propose a new trigonometric interpolation algorithm and establish relevant convergent properties. The method adjusts an existing trigonometric interpolation algorithm such that it can better leverage Fast Fourier Transform…
A method to calculate the one-body Green's function for ground states of correlated electron materials is formulated by extending the variational Monte Carlo method. We benchmark against the exact diagonalization (ED) for the one- and…
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…
We discuss an integral equation approach that enables fast computation of the response of nonlinear multi-degree-of-freedom mechanical systems under periodic and quasi-periodic external excitation. The kernel of this integral equation is a…
Numerical results for ground state and excited state properties (energies, double occupancies, and Matsubara-axis self energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an…
Interpolation and smoothing using cubic and generalized splines are fundamental tools in data analysis and statistical modeling. Recently, fast computational algorithms were developed for natural $L$-splines of order four, which arise as…
A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…
We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real space grids for potentially highly localized single-particle…
In this study, we combine the ab initio Migdal-Eliashberg approach with the intermediate representation for the Green's function, enabling accurate and efficient calculations of the momentum-dependent superconducting gap function while…