Found 946 results, showing the newest relevant preprints. Sort by relevancy only.Update me on new preprints

Excited-State Electronic Structure of Molecules Using Many-Body Green's Functions: Quasiparticles and Electron-Hole Excitations with VOTCA-XTP

We present the open-source VOTCA-XTP software for the calculation of the excited-state electronic structure of molecules using many-body Green’s functions theory in the GW approximation with the Bethe–Salpeter Equation (BSE). Expand abstract.
18289 days ago
10/10 relevant
chemRxiv

Active Learning of Many-Body Configuration Space: Application to the Cs+–water MB-nrg Potential Energy Function as a Case Study

Considering the computational cost associated with high-level electronic structure calculations for training set configurations, our AL framework is particularly well-suited to the development of many-body PEFs, with chemical and spectroscopic accuracy, for molecular simulations from the gas to condensed phase. Expand abstract.
18289 days ago
10/10 relevant
chemRxiv

On the Nature of Alkali Ion−Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II.

Interaction energies of alkali ion−water dimers, M+(H2O), and trimers, M+(H2O)2, with M = Li, Na, K, Rb, Cs, are investigated using various many-body potential energy functions, and exchange correlation functionals selected across the hierarchy of density functional theory approximations. Expand abstract.
18289 days ago
10/10 relevant
chemRxiv

Anomalous diffusion in particle-hole symmetric many-body localized systems

In this work we probe the dynamics of the particle-hole symmetric many-body localized (MBL) phase. Expand abstract.
13 days ago
10/10 relevant
arXiv

Derivation of the Landau-Pekar equations in a many-body mean-field limit

We consider the Fr\"ohlich Hamiltonian in a mean-field limit where many bosonic particles weakly couple to the quantized phonon field. Expand abstract.
15 days ago
8/10 relevant
arXiv

Learning about learning by many-body systems

Far-from-equilibrium many-body systems, from soap bubbles to suspensions to polymers, learn the drives that push them. Expand abstract.
17 days ago
10/10 relevant
arXiv

Local Integrals of Motion for Topologically Ordered Many-Body Localized Systems

Many-body localized (MBL) systems are often described using their local integrals of motion, which, for spin systems, are assumed to be a local unitary transform of the set of on-site spin-z operators. Expand abstract.
18 days ago
10/10 relevant
arXiv

Finding universal structures in quantum many-body dynamics via persistent homology

The approach opens new ways of analyzing quantum many-body dynamics in terms of robust topological structures beyond standard field theoretic techniques. Expand abstract.
19 days ago
10/10 relevant
arXiv

Many-Body Dephasing in a Trapped-Ion Quantum Simulator

How a closed interacting quantum many-body system relaxes and dephases as a function of time is a fundamental question in thermodynamic and statistical physics. Expand abstract.
19 days ago
10/10 relevant
arXiv

Lieb-Robinson bounds and strongly continuous dynamics for a class of many-body fermion systems in $\mathbb{R}^d$

We introduce a class of UV-regularized two-body interactions for fermions in $\mathbb{R}^d$ and prove a Lieb-Robinson estimate for the dynamics of this class of many-body systems. Expand abstract.
30 days ago
10/10 relevant
arXiv