Results 21 to 30 of about 78 (74)
Embedded Many‐Body Green's Function Methods for Electronic Excitations in Complex Molecular Systems
WIREs Computational Molecular Science, Volume 14, Issue 6, November/December 2024.ABSTRACT Many‐body Green's function theory in the GW approximation with the Bethe–Salpeter equation (BSE) provides a powerful framework for the first‐principles calculations of single‐particle and electron–hole excitations in perfect crystals and molecules alike. Application to complex molecular systems, for example, solvated dyes, molecular aggregates,
Gianluca Tirimbó +2 more
wiley +1 more source
Heavenly metrics, hyper‐Lagrangians and Joyce structures
Journal of the London Mathematical Society, Volume 110, Issue 5, November 2024.Abstract In [Proc. Sympos. Pure Math., American Mathematical Society, Providence, RI, 2021, pp. 1–66], Bridgeland defined a geometric structure, named a Joyce structure, conjectured to exist on the space M$M$ of stability conditions of a CY3$CY_3$ triangulated category.
Maciej Dunajski, Timothy Moy
wiley +1 more source
Accelerating Nonequilibrium Green Functions Simulations: The G1–G2 Scheme and Beyond
physica status solidi (b), Volume 261, Issue 9, September 2024.This article reviews recent developments in the theory of nonequilibrium Green functions (NEGF) where dramatic accelerations are achieved within the time‐local G1–G2 scheme. As a result, longer simulations with more accurate selfenergies are possible. The figure shows an illustration ‐ optical excitation of graphene by a short laser pulse: snapshot of ...
Michael Bonitz +5 more
wiley +1 more source
Beyond Electrons: Correlation and Self‐Energy in Multicomponent Density Functional Theory
ChemPhysChem, Volume 25, Issue 13, July 2, 2024.Developing robust methods to describe the behavior of fermions embedded into an electronic system is vital to computationally tackle these complicated quantum systems. Introducing various new approaches, including a common auxiliary subspace multicomponent resolution‐of‐the‐identity approach, this work provides powerful techniques to extract ...
Christof Holzer, Yannick J. Franzke
wiley +1 more source
Classical and quantum theory of fluctuations for many‐particle systems out of equilibrium
Contributions to Plasma Physics, Volume 64, Issue 5, June 2024.Abstract Correlated classical and quantum many‐particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging both, conceptionally and with respect to computational resources.
E. Schroedter, M. Bonitz
wiley +1 more source
Advanced Functional Materials, Volume 34, Issue 19, May 10, 2024.Ambipolar electrolyte‐gated transistors based on reduced graphene oxide (rGO‐EGTs) are ultra‐sensitive and highly specific immunosensors. The physics and chemistry ruling the device operation are still not fully unraveled. This work aims to elucidate the nature of the observed sensitivity, by proposing a physical–chemical model that quantitatively ...
Matteo Sensi +7 more
wiley +1 more source
Boundary current fluctuations for the half‐space ASEP and six‐vertex model
Proceedings of the London Mathematical Society, Volume 128, Issue 2, February 2024.Abstract We study fluctuations of the current at the boundary for the half‐space asymmetric simple exclusion process (ASEP) and the height function of the half‐space six‐vertex model at the boundary at large times. We establish a phase transition depending on the effective density of particles at the boundary, with Gaussian symplectic ensemble (GSE ...
Jimmy He
wiley +1 more source
Finding the Dynamics of an Integrable Quantum Many‐Body System via Machine Learning
Advanced Physics Research, Volume 3, Issue 1, January 2024.Machine‐learning methods are used to find nonperturbative dynamics of the Gaudin magnet (central‐spin model). The Gaudin magnet has important applications in qubit dynamics/decoherence and in nonequilibrium superconductivity. Integrable models like the Gaudin magnet have many conserved quantities and their dynamics may therefore admit an efficient ...
Victor Wei +3 more
wiley +1 more source
Journal of the London Mathematical Society, Volume 109, Issue 1, January 2024.Abstract We tackle the problem of constructing R$R$‐matrices for the category O$\mathcal {O}$ associated to the Borel subalgebra of an arbitrary untwisted quantum loop algebra Uq(g)$U_q({\mathfrak {g}})$. For this, we define an invertible exact functor Fq$\mathcal {F}_q$ from the category O$\mathcal {O}$ linked to Uq−1(g)$U_{q^{-1}}({\mathfrak {g ...
Théo Pinet
wiley +1 more source
Percolation Theories for Quantum Networks. [PDF]
Entropy (Basel), 2023 Meng X +6 more
europepmc +1 more source