We present the Tight-Binding Studio (TB Studio) software package that calculates the different parameters of a tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree–Fock calculations or semi-empirical band-structure theory. This will be helpful for scientists who are interested in studying electronic and optical properties of structures using Green’s function theory within the tight-binding approximation. TB Studio is a cross-platform application written in C++ with a graphical user interface design that is user-friendly and easy to work with. This software is powered by Linear Algebra Package C interface library for solving the eigenvalue problems and th...
Pybinding is a Python package for numerical tight-binding calculations in solid state physics. The m...
Tight-binding approaches, especially the Density Functional Tight-Binding (DFTB) and the extended ti...
We study the localization properties of the 1D tight-binding equation, where the on-site potential i...
The tight-binding method attempts to represent the electronic structure of condensed matter using a ...
In this article we discuss the Slater–Koster (SK) tight-binding (TB) method from the perspective of ...
Contains fulltext : 28324.pdf (publisher's version ) (Open Access
TBPLaS is an open-source software package for the accurate simulation of physical systems with arbit...
Abstract: We present a new electronic structure approximation called Tight Binding Configu-ration In...
Tight-binding or linear combination of atomic orbitals is a method for computing the electronic stru...
We present a rigorous bottom-up approach for the derivation of the electronic structure part of tigh...
We present a rigorous bottom-up approach for the derivation of the electronic structure part of tigh...
The time-dependent density functional-based tight-bind (TD-DFTB) method is implemented on the multi-...
The calculations of electronic transport coefficients and optical properties require a very dense in...
The calculations of electronic transport coefficients and optical properties require a very dense in...
TBPLaS is an open-source software package for the accurate simulation of physical systems with arbit...
Pybinding is a Python package for numerical tight-binding calculations in solid state physics. The m...
Tight-binding approaches, especially the Density Functional Tight-Binding (DFTB) and the extended ti...
We study the localization properties of the 1D tight-binding equation, where the on-site potential i...
The tight-binding method attempts to represent the electronic structure of condensed matter using a ...
In this article we discuss the Slater–Koster (SK) tight-binding (TB) method from the perspective of ...
Contains fulltext : 28324.pdf (publisher's version ) (Open Access
TBPLaS is an open-source software package for the accurate simulation of physical systems with arbit...
Abstract: We present a new electronic structure approximation called Tight Binding Configu-ration In...
Tight-binding or linear combination of atomic orbitals is a method for computing the electronic stru...
We present a rigorous bottom-up approach for the derivation of the electronic structure part of tigh...
We present a rigorous bottom-up approach for the derivation of the electronic structure part of tigh...
The time-dependent density functional-based tight-bind (TD-DFTB) method is implemented on the multi-...
The calculations of electronic transport coefficients and optical properties require a very dense in...
The calculations of electronic transport coefficients and optical properties require a very dense in...
TBPLaS is an open-source software package for the accurate simulation of physical systems with arbit...
Pybinding is a Python package for numerical tight-binding calculations in solid state physics. The m...
Tight-binding approaches, especially the Density Functional Tight-Binding (DFTB) and the extended ti...
We study the localization properties of the 1D tight-binding equation, where the on-site potential i...