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We present a highly efficient method for the extraction of optical properties of very large molecules via the Bethe-Salpeter equation. The crutch of this approach is the calculation of the action of the effective Coulombic interaction, $W$,…

Chemical Physics · Physics 2022-08-10 Nadine Bradbury , Minh Nguyen , Justin R Caram , Daniel Neuhauser

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

The problem of calculating of the mass spectrum of the two-body Bethe-Salpeter equation is studied with no reduction to the three-dimensional ("quasipotential") equation. The method to find the ground state and excited states for a channel…

High Energy Physics - Phenomenology · Physics 2015-06-25 A. Yu. Umnikov , F. C. Khanna

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

To study the characteristic features of relativistic bound systems, the Bethe-Salpeter equation (BSE) for two equal mass spin 1/2 particles (like the deuteron) is solved in the cm-frame for a covariant separable interaction kernel. For that…

Nuclear Theory · Physics 2007-05-23 Frieder Kleefeld , Manfred Dillig

Building upon our previously developed time-dependent Hartree-Fock (TDHF)@$v_W$ method, based on many-body perturbation theory and specifically the Bethe-Salpeter Equation (BSE), we introduce a parameterization scheme for the attenuated…

Chemical Physics · Physics 2025-06-03 Barry Y. Li , Tim Duong , Tucker Allen , Nadine C. Bradbury , Justin R. Caram , Daniel Neuhauser

While the well-established $GW$ approximation corresponds to a resummation of the direct ring diagrams and is particularly well suited for weakly-correlated systems, the $T$-matrix approximation does sum ladder diagrams up to infinity and…

Chemical Physics · Physics 2022-04-28 Pierre-François Loos , Pina Romaniello

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

It is known that binding energies calculated from the Bethe-Salpeter equation in ladder approximation can be reasonably well accounted for by an energy-dependent interaction, at least for the lowest states. It is also known that none of…

Nuclear Theory · Physics 2009-11-06 A. Amghar , B. Desplanques , L. Theussl

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…

We develop an advanced method of solving homogeneous and inhomogeneous Bethe-Salpeter equations by using the expansion over the complete set of 4-dimensional spherical harmonics. We solve Bethe-Salpeter equations for bound and scattering…

Nuclear Theory · Physics 2011-04-26 S. S. Semikh , S. M. Dorkin , M. Beyer , L. P. Kaptari

We describe an all-electron implementation of the Bethe-Salpeter equation (BSE) for the calculation of optical absorption spectra in the full-potential linearized augmented-plane-wave (FLAPW) method. So far, FLAPW implementations have…

Materials Science · Physics 2026-03-27 Jörn Stöhler , Stefan Blügel , Christoph Friedrich

The Bethe-Salpeter equation (BSE) formalism, combined with the $GW$ approximation for ionization energies and electron affinities, is emerging as an efficient and accurate method for predicting optical excitations in molecules. In this…

Chemical Physics · Physics 2026-05-20 Johannes Tölle , Marios-Petros Kitsaras , Pierre-François Loos

The Bethe-Salpeter Equation for a two-scalar, S-wave bound system, interacting through a massive scalar, is investigated within the ladder approximation. By assuming a Nakanishi integral representation of the Bethe-Salpeter amplitude, one…

High Energy Physics - Phenomenology · Physics 2014-02-10 Giovanni Salme` , Tobias Frederico , Michele Viviani

A formally exact Bethe-Salpeter-like equation for the linear-response function is introduced with a kernel which depends only on the one frequency of the applied field. This is in contrast with the standard Bethe-Salpeter equation (BSE)…

Chemical Physics · Physics 2019-03-18 Valerio Olevano , Julien Toulouse , Peter Schuck

The Bethe-Salpeter equation is a widely used approach to describe optical excitations in bulk semiconductors. It leads to spectra that are in very good agreement with experiment, but the price to pay for such accuracy is a very high…

The Bethe-Salpeter formalism in the instantaneous approximation for the interaction kernel entering into the Bethe-Salpeter equation represents a reasonable framework for the description of bound states within relativistic quantum field…

High Energy Physics - Phenomenology · Physics 2009-10-31 Wolfgang Lucha , Khin Maung Maung , F. F. Schoberl

We show that the stochastic dynamics of a large class of one-dimensional interacting particle systems may be presented by integrable quantum spin Hamiltonians. Using the Bethe ansatz and similarity transformations this yields new exact…

Condensed Matter · Physics 2007-05-23 Gunter M. Schütz

The Bethe-Salpeter equation (BSE) combined with the Green's function GW method has successfully transformed into a robust computational tool to describe light-matter interactions and excitation spectra for molecules, solids, and materials…

Chemical Physics · Physics 2025-04-18 Christof Holzer , Yannick J. Franzke

The modelling and analysis of biological systems has deep roots in Mathematics, specifically in the field of ordinary differential equations (ODEs). Alternative approaches based on formal calculi, often derived from process algebras or term…

Programming Languages · Computer Science 2010-11-03 Mario Coppo , Ferruccio Damiani , Maurizio Drocco , Elena Grassi , Eva Sciacca , Salvatore Spinella , Angelo Troina
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