Search results
Jump to navigation
Jump to search
- ...pole approximation. To address this limitation, we will instead solve the BSE for the equilibrium case and apply corrections to the energy values using a ...m a GW calculation. For more information about solving the Equilibrium BSE equation refer to the following tutorial: [https://wiki.yambo-code.eu/wiki/index.php42 KB (5,669 words) - 14:21, 8 September 2025
- ...aches. More details on the theory and comparison between full spinorial GW-BSE and perturbative approach to SOC can be found in the following paper <ref n ...ted replacing <math>v^{ext}</math> with <math>v^{Hxc}</math> into previous equation. Doing so partially account for <math>\hat{H}^{SO(2e)}</math>, while <math>37 KB (5,803 words) - 09:30, 15 September 2025
- ...ns from first principles by interfacing DFPT (for phonon calculations) and BSE (for exciton calculations). The DFTP calculations are run with Quantum ESPRESSO, while the many-body GW-BSE calculations are run with Yambo. Finally, the exciton-phonon interaction wi48 KB (6,972 words) - 14:56, 13 March 2026
- ...approximation. Here we do perform this calculation solving the TDDFT Dyson equation in G space representation: ...diverges so that the evaluation of the term involving the fxc in the Dyson equation cannot be directly calculated in reciprocal space, because the f ALDA is no18 KB (2,808 words) - 22:06, 19 November 2023
- ...of the optical spectrum of a given material by solving the Bethe-Salpeter equation. [[File:Scheme1b.png|500px|center|BSE calculation scheme]]20 KB (2,984 words) - 14:13, 21 May 2025
- # Run the Bethe-Salpter equation for all momementum Q on the same k-grid of the electron-phonon ==BSE at finite momentum==20 KB (2,746 words) - 09:22, 18 September 2025
- BSE/ SAVE/ bse # [R BSK] Bethe Salpeter Equation.20 KB (3,054 words) - 09:16, 17 November 2023
- ...</code> <code>[[Variables#BS_ROLEs|BS_ROLEs]]</code> <code>[[Variables#bse|bse]]</code> <code>[[Variables#BSEBands|BSEBands]]</code> <code>[[Variables#BSE {{var-short|Indicates method used to solve the Dyson equation}}44 KB (6,094 words) - 14:45, 5 December 2024
- The general non-linear quasiparticle equation reads: ...t step we want to evaluate the self energy Σ entering in the quasiparticle equation. In the GW approach the self-energy can be separated into two components: a47 KB (7,013 words) - 15:43, 20 November 2024
- ...meless|Optical absorption of solid LiF. Dots: experiment. Continuous line: BSE. Dashed line: RPA-QP]] chi # [R][CHI] Dyson equation for Chi.20 KB (2,909 words) - 09:20, 8 June 2025
- ...obtain an optical absorption spectrum within the Bethe-Salpeter equation (BSE) framework by diagonalizing a previously calculated Bethe-Salpeter (BS) ker Copy the previous input file for the BSE kernel in a new one:8 KB (1,197 words) - 16:15, 19 May 2023
- The general non-linear quasiparticle equation reads: ...t step we want to evaluate the self energy Σ entering in the quasiparticle equation. In the GW approach the self-energy can be separated into two components: a41 KB (6,062 words) - 10:08, 23 February 2024
- The general non-linear quasiparticle equation reads: ...t step we want to evaluate the self energy Σ entering in the quasiparticle equation. In the GW approach the self-energy can be separated into two components: a39 KB (5,922 words) - 13:49, 18 May 2025
- ...extracted from the eigenvector of the two-particles Hamiltonian during the BSE calculation in step 5, while <math>g_{nm}^\mu (k,q)</math> are the electron ...n be obtained by analyzing the BSE results (this stuff is explained in the BSE tutorials) and by knowledge of the system or class of systems from the lite24 KB (3,478 words) - 11:00, 20 November 2025
- yambo -opsics bse -V resp -F Input/"0n_filename" Gauge= "length" # [BSE] Gauge (length|velocity). In metals length misses An-Hall15 KB (2,422 words) - 10:35, 11 February 2025
- ...optical absorption spectrum of bulk BN within the Bethe-Salpeter equation (BSE)framework for a previously calculated Bethe-Salpeter (BS) kernel. You will ...Hermitian case (BSE neglecting coupling) and for the pseud-hermitian case (BSE with coupling)<ref name="Gruning2011"/>.8 KB (1,075 words) - 09:09, 12 September 2023
- ...he ''RPA-GW'' level, while the solid curve is obtained solving the ''BSE'' equation, with the inclusion of self-energy, local-fields and electron-hole interact Within first-principles, using the ''GW'' method and the ''BSE'' approaches, have been calculated in the past years [2] and explain the ex11 KB (1,750 words) - 15:59, 31 October 2019
- '''14:00 - 16:30 Bethe-Salpeter equation (BSE)''' Fulvio Paleari (CNR-Nano, Italy), Davide Sangalli (CNR-ISM, Italy) ...ptical spectra including excitonic effects: a step-by-step guide|Perform a BSE calculation from beginning to end ]]18 KB (2,740 words) - 12:38, 19 June 2023
- * [[LiF|BSE in lithium-floride]] * [[BSE tutorial on hBN]]6 KB (844 words) - 11:37, 30 October 2025
- ...</code> <code>[[Variables#BS_ROLEs|BS_ROLEs]]</code> <code>[[Variables#bse|bse]]</code> <code>[[Variables#BSEBands|BSEBands]]</code> <code>[[Variables#BSE {{var-short|Type of kernel in TDDFT Dyson equation}}28 KB (3,651 words) - 14:19, 31 October 2019