Related papers: M\"obius-topological auxiliary function for $f$ el…
Symmetry plays a critical role in classifying phases of matter. This is exemplified by how crystalline symmetries enrich the topological classification of materials and enable unconventional phenomena in topologically nontrivial ones. After…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
We compute the two-particle matrix element and Josephson tunneling amplitude in a two-dimensional model of topological superconductivity which captures the physics of the doped Mott insulator. The hydrodynamics of topological electronic…
A fully analytical approximation for the observable characteristics of many-electron atoms is developed via a complete and orthonormal hydrogen-like basis with a single-effective charge parameter for all electrons of a given atom. The basis…
Atom optics demonstrates optical phenomena with coherent matter waves, providing a foundational connection between light and matter. Significant advances in optics have followed the realisation of structured light fields hosting complex…
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairing approach is presented, specifically, we extend the…
Spectral functions are important quantities that contain a wealth of information about the quasiparticles of a system, and that can also be measured experimentally. For systems with electron-phonon coupling, good approximations for the…
We consider the behavior of classical and quantum oscillations in metals with complex Fermi surfaces near the directions of $\, {\bf B} \, $ corresponding to changes in the topological structure of the dynamical system describing the…
In the field of topological insulators, the topological properties of quantum states in samples with simple geometries, such as a cylinder or a ribbon, have been classified and understood during the last decade. Here, we extend these…
In this work we develop tools that enable the study of non-adiabatic effects with variational and diffusion Monte Carlo methods. We introduce a highly accurate wave function ansatz for electron-ion systems that can involve a combination of…
We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…
We demonstrate that nontrivial multiband topological invariants of electronic wavefunctions can be revealed through orbital magnetization responses to external magnetic fields. We find that decomposing orbital magnetization into energetic…
Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A Natural Orbital Density Functional Theory based on the antisymmetrized geminal product provides these occupation numbers and the…
We investigate pfaffian trial wave functions with singlet and triplet pair orbitals by quantum Monte Carlo methods. We present mathematical identities and the key algebraic properties necessary for efficient evaluation of pfaffians.…
An alternative multipole expansion of the correlation term is derived. Modified spherical Bessel type functions which simplify as a summation of multiple orders of basic trigonometric functions are generated from this new method. We use…
Topological phases of electrons such as topological insulators and quantum Hall states typically require strong spin-orbit coupling or magnetic fields. In this study, we consider an electron system coupled to a spin system, where electrons…
In the electron dynamics in quantum matter, the Berry curvature of the electronic wave function provides the artificial magnetic field (AMF) in momentum space, which leads to non-trivial contributions to transport coefficients. It is known…
A general formulation of the equilibrium state of a many-electron system in terms of a (mixed-state, ensemble) density matrix operator in the Fock space, based on the maximum entropy principle, is introduced. Various characteristic…
We give a detailed account of an $\it{ab}$ $\it{initio}$ spectral approach for the calculation of energy spectra of two active electron atoms in a system of hyperspherical coordinates. In this system of coordinates, the Hamiltonian has the…
Let $\Omega\subset \mathbb C^n$ be a bounded domain, and let $f$ be a real-valued function defined on the whole topological boundary $\partial \Omega$. The aim of this paper is to find a characterization of the functions $f$ which can be…