Zobrazeno 1 - 10
of 387
pro vyhledávání: '"Rehr J"'
Autor:
Kas, J. J., Rehr, J. J.
Intrinsic inelastic losses in x-ray spectra originate from excitations in an interacting electron system due to a suddenly created core-hole. These losses characterize the features observed in x-ray photoemission spectra (XPS), as well Here we presen
Externí odkaz:
http://arxiv.org/abs/2210.14423
Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approximation up to temperatures $T$ of order the Fermi temperature. To faci
Externí odkaz:
http://arxiv.org/abs/2208.02390
Autor:
Kas, J. J., Vila, F. D., Pemmaraju, C. D., Prange, M. P., Persson, K. A., Yang, R. X., Rehr, J. J.
Optical constants characterize the interaction of materials with light and are important properties in material design. Here we present a Python-based Corvus workflow for simulations of full spectrum optical constants from the UV-VIS to hard x-ray wa
Externí odkaz:
http://arxiv.org/abs/2108.10981
Publikováno v:
Comp. Mat. Sci. 200, 110814 (2021)
We present a simplified web-based application for simulating x-ray and photoelectron spectra of transition metals, built around the notion that web-based applications lower the bar for novice users. The application provides a simple interface to simu
Externí odkaz:
http://arxiv.org/abs/2108.07913
The treatment of electronic correlations in open-shell systems is among the most challenging problems of condensed matter theory. Current approximations are only partly successful. Ligand field multiplet theory (LFMT) has been widely successful in de
Externí odkaz:
http://arxiv.org/abs/2107.10409
The real-space Green's function code FEFF has been extensively developed and used for calculations of x-ray and related spectra, including x-ray absorption (XAS), x-ray emission (XES), inelastic x-ray scattering, and electron energy loss spectra (EEL
Externí odkaz:
http://arxiv.org/abs/2106.13334
Publikováno v:
Phys. Rev. B 104, 035144 (2021)
There has been considerable interest in properties of condensed matter at finite temperature, including non-equilibrium behavior and extreme conditions up to the warm dense matter regime. Such behavior is encountered, e.g., in experimental time resol
Externí odkaz:
http://arxiv.org/abs/2103.07546
Publikováno v:
J. Chem. Theory Comput. 2020, 16, 11, 6983-6992
Green's function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states. Here we investigate the cumulant form of the one-electron Green's function based on the coupled-cluster
Externí odkaz:
http://arxiv.org/abs/2006.07477
Autor:
Zhou, Jianqiang Sky, Reining, Lucia, Nicolaou, Alessandro, Bendounan, Azzedine, Ruotsalainen, Kari, Vanzini, Marco, Kas, J. J., Rehr, J. J., Muntwiler, Matthias, Strocov, Vladimir N., Sirotti, Fausto, Gatti, Matteo
Satellites in electronic spectra are pure many-body effects, and their study has been of increasing interest in both experiment and theory. The presence of satellites due to plasmon excitations can be understood with simple models of electron-boson c
Externí odkaz:
http://arxiv.org/abs/1811.12217
Autor:
Pemmaraju, C. D., Vila, F. D., Kas, J. J., Sato, S. A., Rehr, J., Yabana, K., Prendergast, David
The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-g
Externí odkaz:
http://arxiv.org/abs/1710.08573