Related papers: Gaussian-Based Quasiparticle Self-Consistent $GW$ …
Establishing a predictive ab initio method for solid systems is one of the fundamental goals in condensed matter physics and computational materials science. The central challenge is how to encode a highly-complex quantum-many-body wave…
Gaussian states, operations, and measurements are central building blocks for continuous-variable quantum information processing which paves the way for abundant applications, especially including network-based quantum computation and…
Gaussian bipartite states are basic tools for the realization of quantum information protocols with continuous variables. Their complete characterization is obtained by the reconstruction of the corresponding covariance matrix. Here we…
The modular nature and unique electronic properties of two-dimensional (2D) covalent organic frameworks (COFs) make them an attractive option for applications in catalysis, optoelectronics, and spintronics. The fabrications of such devices…
We use fully self-consistent GW calculations on diamond and silicon carbide to reparametrize the Heyd-Scuseria-Ernzerhof exact exchange density functional for use in band structure calculations of semiconductors and insulators. We show that…
We investigate the quasiparticle band structure of anatase TiO2, a wide gap semiconductor widely employed in photovoltaics and photocatalysis. We obtain GW quasiparticle energies starting from density-functional theory (DFT) calculations…
The theoretical understanding of emergent phenomena in quantum materials is one of the greatest challenges in condensed matter physics. In contrast to simple materials such as noble metals and semiconductors, macroscopic properties of…
For the computational prediction of core electron binding energies in solids, two distinct kinds of modelling strategies have been pursued: the $\Delta$-Self-Consistent-Field method based on density functional theory (DFT), and the GW…
The GW approximation represents the state-of-the-art ab-initio method for computing excited-state properties. Its execution requires control over a larger number of (often interdependent) parameters, and therefore its application in…
In a simple model of propagation of asymmetric Gaussian beams in nonlinear waveguides, described by a reduction to ordinary differential eqautions of generalized nonlinear Schrodinger equations (GNLSEs) with cubic-quintic (CQ) and saturable…
We develop an open-source python workflow package, $py$GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body perturbation theory based approach to explore the…
The quasi-particle model of quark gluon plasma (QGP) is revisited here with thermodynamically consistent formalism, different from earlier studies, without the need of temperature dependent bag constant as well as other effects such as…
Gaussian states have played on important role in the physics of continuous-variable quantum systems. They are appealing for the experimental ease with which they can be produced, and for their compact and elegant mathematical description.…
In this article, we discuss the stability of soft quasicrystalline phases in a coupled-mode Swift-Hohenberg model for three-component systems, where the characteristic length scales are governed by the positive-definite gradient terms.…
We construct the quasi-stationary (QS) distribution for two models of heterogeneous catalysis having two absorbing states: the ZGB model for the oxidation of CO, and a version with noninstantaneous reactions. Using a mean-field-like…
The thermodynamic properties of superconducting electrons are usually studied by means of the quasi-particles distribution; but in this approach, the ground state energy and the dependence of the chemical potential on the electron density…
We investigate the time evolution of Gaussian wave packet (GWP) in the tight-binding chain with uniform nearest neighbor (NN) hopping integral. Analytical analysis and numerical simulations show that the fractional revival of the quantum…
We show that quasiparticle (QP) energies as calculated in the $GW$ approximation converge to the wrong value using the projector augmented wave (PAW) method, since the overlap integrals between occupied orbitals and high energy, plane wave…
Non-Gaussian states are essential resources in quantum information processing. In this work, we investigate methods for quantifying bosonic non-Gaussianity in many-body systems. Building on recent theoretical insights into the…
This monograph addresses an important problem in mathematical fluid dynamics: constructing stable, long-term solutions to certain quasilinear evolution equations. We implement an elaborate scheme for building global quasiperiodic solutions…