English
Related papers

Related papers: Magnetic force theory combined with quasi-particle…

200 papers

We present the formalism and implementation of quasi-particle self-consistent GW (qsGW) and eigenvalue only quasi-particle self-consistent GW (evGW) adapted to standard quantum chemistry packages. Our implementation is benchmarked against…

Chemical Physics · Physics 2024-04-10 F. Kaplan , M. E. Harding , C. Seiler , F. Weigend , F. Evers , M. J. van Setten

The interaction between small-scale waves and a larger-scale flow can be described by a multi-scale theory that forms the basis for a new class of parameterizations of subgrid-scale gravity waves (GW) in weather and climate models. The…

Atmospheric and Oceanic Physics · Physics 2023-10-12 Ulrich Achatz , Young-Ha Kim , Georg Sebastian Voelker

By recasting the non-linear frequency-dependent $GW$ quasiparticle equation into a linear eigenvalue problem, we explain the appearance of multiple solutions and unphysical discontinuities in various physical quantities computed within the…

Chemical Physics · Physics 2022-06-16 Enzo Monino , Pierre-François Loos

The equations which determine the response of a charged particle moving in a magnetic field to an incident gravitational wave(GW) are derived in the linearized approximation to general relativity. We briefly discuss several astrophysical…

General Relativity and Quantum Cosmology · Physics 2011-05-23 Demetrios B. Papadopoulos

A brief account of the zero temperature magnetic response of a system of strongly correlated electrons in strong magnetic field is given in terms of its quasiparticle properties. The scenario is based on the paramagnetic phase of the…

Strongly Correlated Electrons · Physics 2009-11-13 Johannes Bauer

We present a tight-binding based GW approach for the calculation of quasiparticle energy levels in confined systems such as molecules. Key quantities in the GW formalism like the microscopic dielectric function or the screened Coulomb…

Materials Science · Physics 2009-11-10 T. A. Niehaus , M. Rohlfing , F. Della Sala , A. Di Carlo , Th. Frauenheim

We report an all-electron implementation of the quasiparticle self-consistent GW (QSGW) method for molecular and periodic systems within the framework of numerical atomic orbitals (NAOs), as implemented in the LibRPA software package. Our…

Materials Science · Physics 2026-05-22 Bohan Jia , Min-Ye Zhang , Ziqing Guan , Huanjing Gong , Xinguo Ren

Using the in-viscid two-field reduced MHD model, a new analytical theory is developed to unify the Hahm-Kulsrud-Taylor (HKT) linear solution and the Rutherford quasi-linear regime. Adopting a quasi-linear approach, we obtain a closed system…

Plasma Physics · Physics 2021-05-26 Wenlong Huang , Ping Zhu

We present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method…

Materials Science · Physics 2023-12-07 Aaron R. Altman , Sudipta Kundu , Felipe H. da Jornada

We present a code implementing the linearized self-consistent quasiparticle GW method (scQPGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing…

Materials Science · Physics 2017-09-13 Andrey L. Kutepov , Viktor S. Oudovenko , Gabriel Kotliar

In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting…

Statistical Mechanics · Physics 2016-12-07 T. Balcerzak , K. Szałowski , M. Jaščur

We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of the slopes of…

Strongly Correlated Electrons · Physics 2020-05-20 Hirofumi Sakakibara , Takao Kotani , Masao Obata , Tatsuki Oda

The $GW$ approximation is a well-established method for calculating ionization potentials and electron affinities in solids and molecules. For numerous years, obtaining self-consistent $GW$ total energies in solids has been a challenging…

Chemical Physics · Physics 2023-06-28 Adam Hassan Denawi , Fabien Bruneval , Marc Torrent , Mauricio Rodríguez-Mayorga

We study the interaction of a quantum mechanical particle with gravitational wave (GW) in the framework of modified theory of gravity (MTG) where apart from the two standard tensorial modes of polarization of GW there exists another…

General Relativity and Quantum Cosmology · Physics 2024-08-22 Rakesh Das , Anirban Saha

We have recently implemented a new version of the quasiparticle self-consistent GW (QSGW) method in the ecalj package released at http://github.com/tkotani/ecalj. Since the new version of the ecalj is numerically stable and accurate…

Materials Science · Physics 2016-04-20 Daiki Deguchi , Kazunori Sato , Hiori Kino , Takao Kotani

The GW approximation is a cornerstone of many-body perturbation theory for computing single-particle excitations, yet it fundamentally breaks down in strongly correlated systems where the single-reference picture fails. To overcome this…

Chemical Physics · Physics 2026-04-20 Yuqi Wang , Wei-Hai Fang , Zhendong Li

The self-consistent quasiparticle model has been successful in studying QCD thermodynamics. In this model, the medium effects are taken into account by considering quarks and gluons as quasiparticles with temperature-dependent masses which…

Nuclear Theory · Physics 2020-06-19 Sebastian Koothottil , Vishnu M. Bannur

An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…

Mesoscale and Nanoscale Physics · Physics 2015-03-17 San-Huang Ke

We apply the quasi-particle self-consistent GW (QSGW) approximation to some of the iron pnictide and chalcogenide superconductors. We compute Fermi surfaces and density of states, and find excellent agreement with experiment, substantially…

Strongly Correlated Electrons · Physics 2012-12-19 Jan M. Tomczak , M. van Schilfgaarde , G. Kotliar

The linear response theory is used to describe magnetoresistance oscillations of short-period unilateral superlattices with strong modulation (or alternatively arrays of coupled quantum wires). The semiclassical description of this system…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Karel Vyborny , Ludvik Smrcka , Rainer A. Deutschmann