Related papers: Ultra-large-scale electronic structure theory and …
In this work we develop some categorical aspects of the double structure of a module.
Total energy electronic structure calculations, based on density functional theory or on the more empirical tight binding approach, are generally believed to scale as the cube of the number of electrons. By using the localisaton property of…
The electronic structure of the Fe-based superconductors is discussed, mainly from the point of view of first principles calculations in relation to experimental data. Comparisons and contrasts with cuprates are made. The problem of…
With the growth of computational resources, the scope of electronic structure simulations has increased greatly. Artificial intelligence and robust data analysis hold the promise to accelerate large-scale simulations and their analysis to…
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…
The goal of nuclear structure theory is to build a comprehensive microscopic framework in which properties of nuclei and extended nuclear matter, and nuclear reactions and decays can all be consistently described. Due to novel theoretical…
A linear-algebraic theory called 'multiple Arnoldi method' is presented and realizes large-scale (order-N) electronic structure calculation with generalized eigen-value equations. A set of linear equations, in the form of (zS-H) x = b, are…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
The purpose of this paper is to describe and elaborate the philosophical ideas behind hyperstructures and structure formation in general and emphasize the key ideas of the Hyperstructure Program.
The rather unintuitive nature of quantum theory has led numerous people to develop sets of (physically motivated) principles that can be used to derive quantum mechanics from the ground up, in order to better understand where the structure…
The electron and photon structure functions are compared. Advantages of the electron structure function are demonstrated. At very high momenta probabilistic (partonic) interpretation can be preserved despite strong $\gamma$-$Z$…
In this paper we discuss various philosophical aspects of the hyperstructure concept extending networks and higher categories. By this discussion we hope to pave the way for applications and further developments of the mathematical theory…
The past two decades have witnessed tremendous progress in the microscopic description of atomic nuclei. The Topical Review `The Future of Nuclear Structure' aims at summarizing the current state-of-the-art microscopic calculations in…
Shell structure in the single particle spectrum of deformed harmonic oscillator potentials when a term proportional to $(\vec L)^2$ is added is analyzed for a large particle number. A scaling law which gives a dividing line between regular…
Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is…
Computational studies of basic models of strongly-correlated electron systems can provide guidance in the search for new materials as well as insight into the physical mechanisms responsible for their properties. Here, we illustrate this by…
Linear scaling methods, or O(N) methods, have computational and memory requirements which scale linearly with the number of atoms in the system, N, in contrast to standard approaches which scale with the cube of the number of atoms. These…
We present a method for the calculation of electronic structure of systems that contain tens of thousands of atoms. The method is based on the division of the system into mutually overlapping fragments and the representation of the…
In the Dimension Embedded in Unified Symmetry (Adrian Sabin Popescu, D.E.U.S. (Dimension Embedded in Unified Symmetry), p. 221-247, Ed. Cartea Universitara, Bucuresti, ISBN 978-973-731-519-9 (arXiv:0704.2670) (2007)) book we made a…
This dissertation builds a compositional cyber-physical systems theory to develop concrete semantics relating the above diverse views necessary for safety and security assurance. In this sense, composition can take two forms. The first is…