Recommendation of Orbitals for G0W0 Calculations on Molecules and Crystals.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00242
Abstract: The many-body GW approximation, especially the G0W0 method, has been widely used for condensed matter and molecules to calculate quasiparticle energies for ionization, electron attachment, and band gaps. Because G0W0 calculations are well-known to have… read more here.
Keywords: band; hybrid functionals; g0w0 calculations; band gaps ... See more keywords
Global hybrid multiconfiguration pair-density functional theory.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b01178
Abstract: A global hybrid extension of multiconfiguration pair-density functional theory (MCPDFT) is developed. Using a linear decomposition of the electron-electron repulsion term, a fraction λ of the nonlocal exchange interaction, obtained from variational two-electron reduced-density matrix… read more here.
Keywords: density functional; theory; density; pair density ... See more keywords
Engaging transformed fundamentals to design global hybrid higher education
Sign Up to like & getrecommendations! Published in 2020 at "Studies in Higher Education"
DOI: 10.1080/03075079.2020.1859683
Abstract: ABSTRACT The year 2020 began with grand ideas about building future higher education. Thereafter universities have been through a constant swirl of uncertainties and confusions as they respond to a novel suite of radically reconfigured… read more here.
Keywords: education engaging; transformed fundamentals; higher education; education ... See more keywords
Magnetosheath jet properties and evolution as determined by a global hybrid-Vlasov simulation
Sign Up to like & getrecommendations! Published in 2018 at "Annales Geophysicae"
DOI: 10.5194/angeo-36-1171-2018
Abstract: Abstract. We use a global hybrid-Vlasov simulation for the magnetosphere, Vlasiator, to investigate magnetosheath high-speed jets. Unlike many other hybrid-kinetic simulations, Vlasiator includes an unscaled geomagnetic dipole, indicating that the simulation spatial and temporal dimensions… read more here.
Keywords: magnetosheath; jet; magnetosheath jet; simulation ... See more keywords
Asymmetries in the Earth's dayside magnetosheath: results from global hybrid-Vlasov simulations
Sign Up to like & getrecommendations! Published in 2020 at "Annales Geophysicae"
DOI: 10.5194/angeo-38-1045-2020
Abstract: Abstract. Bounded by the bow shock and the magnetopause, the magnetosheath forms the interface between solar wind and magnetospheric plasmas and regulates solar wind-magnetosphere coupling. Previous works have revealed pronounced dawn-dusk asymmetries in the magnetosheath… read more here.
Keywords: magnetosheath; hybrid vlasov; vlasov simulations; magnetic field ... See more keywords
Resolution dependence of magnetosheath waves in global hybrid-Vlasov simulations
Sign Up to like & getrecommendations! Published in 2020 at "Annales Geophysicae"
DOI: 10.5194/angeo-38-1283-2020
Abstract: Abstract. Kinetically driven plasma waves are fundamental for a description of the thermodynamical properties of the Earth's magnetosheath. The most commonly observed ion-scale instabilities are generated by temperature anisotropy of the ions, such as the… read more here.
Keywords: hybrid vlasov; resolution; proton cyclotron; global hybrid ... See more keywords