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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…

化学物理 · 物理学 2020-08-26 Xavier Blase , Ivan Duchemin , Denis Jacquemin , Pierre-François Loos

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…

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…

化学物理 · 物理学 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…

材料科学 · 物理学 2022-02-16 Sylvia J. Bintrim , Timothy C. Berkelbach

We present a Bethe-Salpeter equation (BSE) solver based on a self-consistent $GW$ reference evaluated on the Matsubara frequency axis, referred to as BSE@sc$GW$. The self-consistent $GW$ starting point provides a robust quasiparticle…

化学物理 · 物理学 2026-05-06 Ming Wen , Gaurav Harsha , Dominika Zgid

Using the simple (symmetric) Hubbard dimer, we analyze some important features of the $GW$ approximation. We show that the problem of the existence of multiple quasiparticle solutions in the (perturbative) one-shot $GW$ method and its…

化学物理 · 物理学 2021-10-12 Stefano Di Sabatino , Pierre-François Loos , Pina Romaniello

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…

化学物理 · 物理学 2025-04-18 Christof Holzer , Yannick J. Franzke

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…

The Bethe-Salpeter equation (BSE) formalism is a computationally affordable method for the calculation of accurate optical excitation energies in molecular systems. Similar to the ubiquitous adiabatic approximation of time-dependent…

化学物理 · 物理学 2020-09-22 Pierre-François Loos , Xavier Blase

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…

核理论 · 物理学 2007-05-23 Frieder Kleefeld , Manfred Dillig

A thermal extension of the relativistic nuclear field theory is formulated for the nuclear response. The Bethe-Salpeter equation (BSE) with the time-dependent kernel for the particle-hole response is treated within the Matsubara Green's…

核理论 · 物理学 2019-12-24 Elena Litvinova , Herlik Wibowo

The Bethe-Salpeter equation (BSE) for bound states in scalar theories is reformulated and solved in terms of a generalized spectral representation directly in Minkowski space. This differs from the conventional approach, where the BSE is…

高能物理 - 唯象学 · 物理学 2015-06-25 K. Kusaka , K. M. Simpson , A. G. Williams

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…

材料科学 · 物理学 2020-01-01 Joshua Elliott , Nicola Colonna , Margherita Marsili , Nicola Marzari , Paolo Umari

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…

化学物理 · 物理学 2022-08-10 Arno Förster , Lucas Visscher

We develop an improved stochastic formalism for the Bethe-Salpeter equation, based on an exact separation of the effective-interaction $W$ to two parts, $W=(W-v_W)+v_W$ where the latter is formally any translationally-invariant interaction…

化学物理 · 物理学 2023-05-03 Nadine C. Bradbury , Tucker Allen , Minh Nguyen , Khaled Ibrahim , Daniel Neuhauser

The Bethe-Salpeter amplitude $\Phi(k,p)$ is expressed, by means of the Nakanishi integral representation, via a smooth function $g(\gamma,z)$. This function satisfies a canonical equation $g=Ng$. However, calculations of the kernel $N$ in…

高能物理 - 唯象学 · 物理学 2021-09-22 V. A. Karmanov

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…

材料科学 · 物理学 2015-02-11 Eran Rabani , Roi Baer , Daniel Neuhauser

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…

高能物理 - 唯象学 · 物理学 2015-06-25 A. Yu. Umnikov , F. C. Khanna

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…

高能物理 - 唯象学 · 物理学 2009-10-31 Wolfgang Lucha , Khin Maung Maung , F. F. Schoberl

We apply the renormalized singles (RS) Green's function in the Bethe-Salpeter equation (BSE)/$GW$ approach to predict accurate neutral excitation energies of molecular systems. The BSE calculations are performed on top of the…

化学物理 · 物理学 2022-10-26 Jiachen Li , Dorothea Golze , Weitao Yang
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