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Ab initio GW calculations are a standard method for computing the spectroscopic properties of many materials. The most computationally expensive part in conventional implementations of the method is the generation and summation over the…

Materials Science · Physics 2015-06-11 Jack Deslippe , Georgy Samsonidze , Manish Jain , Marvin L. Cohen , Steven G. Louie

The $GW$ approximation is a widely used framework for studying correlated materials, but it struggles with certain limitations, such as its inability to explain pseudogap phenomena. To overcome these problems, we propose a systematic…

Strongly Correlated Electrons · Physics 2024-09-26 Hui Li , Yingze Su , Junnian Xiong , Haiqing Lin , Huaqing Huang , Dingping Li

A quasi-equilibrium (QE) computational scheme was recently developed in general relativity to calculate the complete gravitational wavetrain emitted during the inspiral phase of compact binaries. The QE method exploits the fact that the the…

General Relativity and Quantum Cosmology · Physics 2009-10-31 Hwei-Jang Yo , Thomas W. Baumgarte , Stuart L. Shapiro

Whenever real particle production occurs in quantum field theory, the imaginary part of the Hadamard Elementary function $G^{(1)}$ is non-vanishing. A method is presented whereby the imaginary part of $G^{(1)}$ may be calculated for a…

General Relativity and Quantum Cosmology · Physics 2014-11-17 Rhett Herman

We hereby propose an alternative and additional angle on the nature of gravitational waves (GWs), postulating the theoretical and experimental possibility that GWs carry a deformation of the time component of spacetime, other than the…

General Relativity and Quantum Cosmology · Physics 2023-06-06 Stefano Bondani , Sergio Luigi Cacciatori

We investigate the wave effects of gravitational waves (GWs) using numerical simulations with the finite element method (FEM) based on the publicly available code {\it deal.ii}. We robustly test our code using a point source monochromatic…

General Relativity and Quantum Cosmology · Physics 2019-12-04 Jian-hua He

The interaction of classical gravitational waves (GW) with matter is studied within a quantum mechanical framework. The classical equations of motion in the long wave-length limit is quantized and a Schroedinger equation for the interaction…

High Energy Physics - Phenomenology · Physics 2009-10-28 A. D. Speliotopoulos

An efficient implementation of the self-consistent GW method in the FlapwMBPT code (https://www.bnl.gov/cmpmsd/flapwmbpt/) is presented. It features the evaluation of polarizability and self-energy which scales linearly with respect to the…

Materials Science · Physics 2020-08-05 Andrey L. Kutepov

Two self-consistent schemes involving Hedin's $GW$ approximation are studied for a set of sixteen different atoms and small molecules. We compare results from the fully self-consistent $GW$ approximation (SC$GW$) and the quasi-particle…

Materials Science · Physics 2015-06-19 Peter Koval , Dietrich Foerster , Daniel Sánchez-Portal

We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration, and do not require the explicit evaluation of virtual electronic…

Materials Science · Physics 2015-01-14 Marco Govoni , Giulia Galli

This study examines how the GW approximation, one of the techniques covered by Green's functions and on many-body approximations (GFMBA), fares compared to the treatment of the Hubbard model solved using an exact diagonalization (ED)…

Strongly Correlated Electrons · Physics 2022-12-08 Antoine Honet , Luc Henrard , Vincent Meunier

The properties of gravitational-wave (GW) propagation are modified in alternative theories of gravity and are crucial observables to test gravity at cosmological distance. The propagation speed has already been measured from GW170817 so…

General Relativity and Quantum Cosmology · Physics 2019-05-22 Atsushi Nishizawa , Shun Arai

We show that quasiparticle (QP) energies as calculated in the $GW$ approximation converge to the wrong value using the projector augmented wave (PAW) method, since the overlap integrals between occupied orbitals and high energy, plane wave…

Materials Science · Physics 2014-08-20 Jiří Klimeš , Merzuk Kaltak , Georg Kresse

We study the time-sliced thawed Gaussian propagation method, which was recently proposed for solving the time-dependent Schr\"odinger equation. We introduce a triplet of quadrature-based analysis, synthesis and re-initialization operators…

Numerical Analysis · Mathematics 2022-09-14 Paul Bergold , Caroline Lasser

The detection of gravitational waves (GWs) propagating through cosmic structures can provide invaluable information on the geometry and content of our Universe, as well as on the fundamental theory of gravity. In order to test possible…

General Relativity and Quantum Cosmology · Physics 2020-11-25 Alice Garoffolo , Gianmassimo Tasinato , Carmelita Carbone , Daniele Bertacca , Sabino Matarrese

Quasiparticle (QP) excitations are extremely important for understanding and predicting charge transfer and transport in molecules, nanostructures and extended systems. Since density functional theory (DFT) within the Kohn-Sham (KS)…

Chemical Physics · Physics 2017-07-18 Vojtech Vlcek , Eran Rabani , Daniel Neuhauser , Roi Baer

Background: Path integrals are a powerful tool for solving problems in quantum theory that are not amenable to a treatment by perturbation theory. Most path integral computations require an analytic continuation to imaginary time. While…

Nuclear Theory · Physics 2020-07-01 W. N. Polyzou , Ekaterina Nathanson

The problem of radiation by the charged particles of the intergalactic medium (IGM) when a passing gravitational wave (GW) accelerate them is investigated. The largest acceleration (taking a charge from rest to a maximum speed which remains…

General Relativity and Quantum Cosmology · Physics 2022-04-13 Richard Lieu , Kristen Lackeos , Bing Zhang

Gaussian wavepacket dynamics has proven to be a useful semiclassical approximation for quantum simulations of high-dimensional systems with low anharmonicity. Compared to Heller's original local harmonic method, the variational Gaussian…

Numerical Analysis · Mathematics 2024-09-26 Roya Moghaddasi Fereidani , Jiří JL Vaníček

The Gibbons-Werner (GW) method provides a geometric framework for calculating the deflection angle of particles in curved spacetimes, and numerous extensions based on the original version have been developed in recent years to expand its…

General Relativity and Quantum Cosmology · Physics 2026-01-16 Yang Huang