Related papers: Exact Diagonalization library for quantum electron…
A new system of library code is proposed and initiated. It is emphasized that the same terminologies as we find in our textbooks should be used for class names in the library code. The language C# invented by Microsoft is adopted in this…
We present a powerful method for calculating the thermodynamic properties of the Hubbard model in infinite dimensions, using an exact diagonalization of an Anderson model with a finite number of sites. At finite temperatures, the explicit…
Pyqcm is a Python/C++ library that implements a few quantum cluster methods with an exact diagonalization impurity solver. Quantum cluster methods are used in the study of strongly correlated electrons to provide an approximate solution to…
Exact diagonalization (ED) is a cornerstone technique in quantum many-body physics, enabling precise solutions to the Schr\"odinger equation for interacting quantum systems. Despite its utility in studying ground states, excited states, and…
We present a parallel computation scheme based on the Arnoldi algorithm for exact diagonalization of quantum-electron models. It contains a selective data transferring method and distributed storage format for efficient computing of the…
We present EDIpack, an exact diagonalization package to solve generic quantum impurity problems. The algorithm includes a generalization of the look-up method introduced in [Lin, Gubernatis Comput. Phys., 7 (4) (1993), 400] and enables a…
The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…
We propose a distinct numerical approach to effectively solve the problem of partial diagonalization of the super-large-scale quantum electronic Hamiltonian matrices. The key ingredients of our scheme are the new method for arranging the…
Hubbard model is an important model in theory of strongly correlated electron systems. In this contribution we introduce this model along with numerically exact method of diagonalization of the model.
The accurate determination of the electronic structure of strongly correlated materials using first principle methods is of paramount importance in condensed matter physics, computational chemistry, and material science. However, due to the…
Exact diagonalization (ED) is one of the most reliable and established numerical methods of quantum many-body theory. The main limiting factor of the method is the exponential scaling of Hilbert space dimension with system size.…
We present a code modularization approach to design efficient and massively parallel cubic and linear-scaling solvers for electronic structure calculations using atomic orbitals. The modular implementation of the orbital minimization…
We develop a method for calculating the self-energy of a quantum impurity coupled to a continuous bath by stochastically generating a distribution of finite Anderson models that are solved by exact diagonalization, using the noninteracting…
Tensor network methods as presented in our open source Matrix Product States software have opened up the possibility to study many-body quantum physics in one and quasi-one-dimensional systems in an easily accessible package similar to…
The Hubbard model is exactly solved for two particles with opposite spins on d-dimensional hypercubes. It is shown that the spectrum can be separated into two parts: a trivial (U-independent) part resulting from symmetries of hypercubes and…
We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…
HepLib is a C++ Library for computations in High Energy Physics, it works on top of GiNaC, a well-established C++ library used to perform symbolic computations. HepLib combines serval well-known packages to get high efficiency, including…
This paper provides the description of a novel, multi-purpose spline library. In accordance with the increasingly diverse modes of usage of splines, it is multi-purpose in the sense that it supports geometry representation, finite element…
We introduce Unitaria, a Python library that brings the simplicity of classical linear algebra toolkits such as NumPy and SciPy to the implementation of quantum algorithms based on block encodings, a general-purpose abstraction in which a…
In the paper the thermodynamics of a cubic cluster with 8 sites at quarter filling is characterized by means of exact diagonalization technique. Particular emphasis is put on the behaviour of such response functions as specific heat and…