Zobrazeno 1 - 10
of 101
pro vyhledávání: '"Hummel, Felix"'
Autor:
Moerman, Evgeny, Gallo, Alejandro, Irmler, Andreas, Schäfer, Tobias, Hummel, Felix, Grüneis, Andreas, Scheffler, Matthias
We investigate the convergence of quasi-particle energies for periodic systems to the thermodynamic limit using increasingly large simulation cells corresponding to increasingly dense integration meshes in reciprocal space. The quasi-particle energie
Externí odkaz:
http://arxiv.org/abs/2409.03721
Autor:
Koch, Benjamin, Hummel, Felix
We revisit the neutron lifetime puzzle, a discrepancy between beam and bottle measurements of the weak neutron decay. Since both types of measurements are realized at different times after the nuclear production of free neutrons, we argue that the ex
Externí odkaz:
http://arxiv.org/abs/2403.00914
We investigate the convergence of coupled-cluster correlation energies and related quantities with respect to the employed basis set size for the uniform electron gas to gain a better understanding of the basis set incompleteness error. To this end,
Externí odkaz:
http://arxiv.org/abs/2402.15907
Publikováno v:
Phys. Rev. B 109, 104109 (2024)
Determining the melting curves of materials up to high pressures has long been a challenge experimentally and theoretically. A large class of materials, including most metals, has been shown to exhibit hidden scale invariance, an approximate scale in
Externí odkaz:
http://arxiv.org/abs/2306.16238
Autor:
Hummel, Felix
Many methods for computing electronic correlation effects at finite temperature are related to many-body perturbation theory in the grand-canonical ensemble. In most applications, however, the average number of electrons is known rather than the chem
Externí odkaz:
http://arxiv.org/abs/2210.05548
We review a range of reduction methods that have been, or may be useful for connecting models of the Earth's climate system of differing complexity. We particularly focus on methods where rigorous reduction is possible. We aim to highlight the main m
Externí odkaz:
http://arxiv.org/abs/2209.12240
Autor:
Engel, Maximilian, Hummel, Felix, Kuehn, Christian, Popović, Nikola, Ptashnyk, Mariya, Zacharis, Thomas
We study a singularly perturbed fast-slow system of two partial differential equations (PDEs) of reaction-diffusion type on a bounded domain. We assume that the reaction terms in the fast variable contain a fold singularity, whereas the slow variable
Externí odkaz:
http://arxiv.org/abs/2207.06134
We present a rigorous analysis of the slow passage through a Turing bifurcation in the Swift-Hohenberg equation using a novel approach based on geometric blow-up. We show that the formally derived multiple scales ansatz which is known from classical
Externí odkaz:
http://arxiv.org/abs/2207.03967
Coupled cluster (CC) theory is often considered the gold standard of quantum-chemistry. For solids, however, the available software is scarce. We present CC-aims, which can interface ab initio codes with localized atomic orbitals and the CC for solid
Externí odkaz:
http://arxiv.org/abs/2204.06361
Publikováno v:
J. Chem. Phys. 155, 244103 (2021)
A first-principles study of the adsorption of a single water molecule on a layer of graphitic carbon nitride employing an embedding approach is presented. The embedding approach involves an algorithm to obtain localized Wannier orbitals of various ty
Externí odkaz:
http://arxiv.org/abs/2110.06035