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The Bethe-Salpeter equation (BSE) can provide an accurate description of low-energy optical spectra of insulating crystals - even when excitonic effects are important. However, due to high computational costs it is only possible to include…

Self-consistent Hartree-Fock approximation combined with solutions of the Bethe-Salpeter equation offers a powerful tool for studies of strong correlation effects arising in condensed matter models, nuclear physics, quantum field theories,…

Strongly Correlated Electrons · Physics 2024-02-06 I. S. Tupitsyn , N. V. Prokof'ev

A time-dependent formulation for electron-hole excitations in extended finite systems, based on the Bethe-Salpeter equation (BSE), is developed using a stochastic wave function approach. The time-dependent formulation builds on the…

Materials Science · Physics 2015-02-11 Eran Rabani , Roi Baer , Daniel Neuhauser

We study the optical response of VO2 in the M1 insulating phase using methods based on density functional theory in its most recent developments. We start from a hybrid functional approach which may be a good starting point to carry out…

Strongly Correlated Electrons · Physics 2012-07-26 Adam Gali , John E. Coulter , Efstratios Manousakis

The Bethe-Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient and accurate tool in the ensemble of computational methods available to chemists in order to predict optical excitations in molecular systems. In…

Chemical Physics · Physics 2020-08-26 Xavier Blase , Ivan Duchemin , Denis Jacquemin , Pierre-François Loos

The Bethe-Salpeter equation for the electron-hole correlation function is the state-of-the-art formalism for optical and core spectroscopy in condensed matter. Solutions of this equation yield the full dielectric response, including both…

Materials Science · Physics 2019-04-12 Christian Vorwerk , Benjamin Aurich , Caterina Cocchi , Claudia Draxl

The correlation energy of the homogeneous electron gas is evaluated by solving the Bethe-Salpeter equation (BSE) beyond the Tamm-Dancoff approximation for the electronic polarisation propagator. The BSE is expected to improve upon the…

Materials Science · Physics 2016-06-15 Emanuele Maggio , Georg Kresse

The Bethe-Salpeter equation (BSE) is the key equation in many-body perturbation theory based on Green's functions to access response properties. Within the $GW$ approximation to the exchange-correlation kernel, the BSE has been successfully…

Chemical Physics · Physics 2023-02-15 Roberto Orlando , Pina Romaniello , Pierre-François Loos

The Bethe-Salpeter equation (BSE) that results from the GW approximation to the self-energy is a frequency-dependent (nonlinear) eigenvalue problem due to the dynamically screened Coulomb interaction between electrons and holes. The…

Materials Science · Physics 2022-02-16 Sylvia J. Bintrim , Timothy C. Berkelbach

Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…

Chemical Physics · Physics 2019-08-19 Susi Lehtola

We study the dielectric function of the homogeneous semiconductor hole liquid of p-doped bulk III-V zinc-blende semiconductors within random phase approximation. The single-particle physics of the hole system is modeled by Luttinger's…

Strongly Correlated Electrons · Physics 2011-10-14 John Schliemann

The $GW$-Bethe-Salpeter Equation (BSE) method is promising for calculating the low-lying excited states of molecular systems. So far, it has only been applied to rather small molecules, and in the commonly implemented diagonal…

Chemical Physics · Physics 2022-08-10 Arno Förster , Lucas Visscher

Excitonic effects in metals are commonly supposed to be weak, because the Coulomb interaction is strongly screened. We investigate the low-density regime of the homogeneous electron gas, where low-energy collective excitations and ghost…

Strongly Correlated Electrons · Physics 2023-01-03 Jaakko Koskelo , Lucia Reining , Matteo Gatti

An implementation of the Hartree-Fock (HF) method capable of robust convergence for well-behaved arbitrary central potentials is presented. The Hartree-Fock equations are converted to a generalized eigenvalue problem by employing a B-spline…

Atomic Physics · Physics 2021-08-13 D. T. Waide , D. G. Green , G. F. Gribakin

The interacting electron and hole in transition-metal dichalcogenides is considered. For investigation of the interaction between electron and hole we obtain the Bethe-Salpeter equation for two interacting Dirac particles. The dependence of…

Mesoscale and Nanoscale Physics · Physics 2021-06-23 P. A. Krachkov , I. S. Terekhov

The Bethe-Salpeter equation (BSE) is currently the state of the art in the description of neutral electron excitations in both solids and large finite systems. It is capable of accurately treating charge-transfer excitations that present…

We develop a practical Hartree-Fock theory for trapped Bose and Fermi gases that interact with dipole-dipole interactions. This theory is applicable at zero and finite temperature. Our approach is based on the introduction of local momentum…

Quantum Gases · Physics 2012-10-16 D. Baillie , P. B. Blakie

We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excitations. Standard approaches to construct and diagonalize the…

Computational Physics · Physics 2018-02-01 Wei Hu , Meiyue Shao , Andrea Cepellotti , Felipe H. da Jornada , Lin Lin , Kyle Thicke , Chao Yang , Steven G. Louie

The Bethe-Salpeter Equation (BSE) can be applied to compute from first-principles optical spectra that include the effects of screened electron-hole interactions. As input, BSE calculations require single-particle states, quasiparticle…

Materials Science · Physics 2020-01-01 Joshua Elliott , Nicola Colonna , Margherita Marsili , Nicola Marzari , Paolo Umari

We study a Bose-Einstein condensate (BEC) of a dilute gas with dipolar interactions, at finite temperature, using the Hartree-Fock-Bogoliubov (HFB) theory within the Popov approximation. An additional approximation involving the dipolar…

Statistical Mechanics · Physics 2009-11-13 Shai Ronen , John Bohn
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