Matches in SemOpenAlex for { <https://semopenalex.org/work/W4306752004> ?p ?o ?g. }
- W4306752004 abstract "We present an implementation of the Bethe-Salpeter equation (BSE) for core-conduction band pairs within the framework of the projector augmented-wave method. For validation, the method is applied to the $K$ edges of diamond, graphite and hexagonal boron-nitride, as well as four lithium-halides (LiF, LiCl, LiI, LiBr). We compare our results with experiment, previous theoretical BSE results, and the density functional theory-based supercell core-hole method. In all considered cases, the agreement with experiment is excellent, in particular, for the relative position of the peaks as well as the fine structure. Comparing BSE to supercell core-hole spectra, we find that the latter often qualitatively reproduces the experimental spectrum, however, it sometimes lacks important details. This is shown for the $K$ edges of diamond and nitrogen in hexagonal boron nitride, where we can resolve within the BSE experimental features that are lacking in the supercell core-hole method. Additionally, we show that in certain systems the supercell core-hole method performs better if the excited electron is added to the background charge rather than to the lowest conduction band. We attribute this improved performance to a reduced self-interaction." @default.
- W4306752004 created "2022-10-19" @default.
- W4306752004 creator A5019751186 @default.
- W4306752004 creator A5071411016 @default.
- W4306752004 creator A5081259480 @default.
- W4306752004 date "2022-10-18" @default.
- W4306752004 modified "2023-10-01" @default.
- W4306752004 title "X-ray absorption using the projector augmented-wave method and the Bethe-Salpeter equation" @default.
- W4306752004 cites W1215246165 @default.
- W4306752004 cites W1517708868 @default.
- W4306752004 cites W1637888472 @default.
- W4306752004 cites W1640432386 @default.
- W4306752004 cites W1723335569 @default.
- W4306752004 cites W1970127494 @default.
- W4306752004 cites W1970367448 @default.
- W4306752004 cites W1971643633 @default.
- W4306752004 cites W1972356485 @default.
- W4306752004 cites W1973029646 @default.
- W4306752004 cites W1973388823 @default.
- W4306752004 cites W1979544533 @default.
- W4306752004 cites W1981368803 @default.
- W4306752004 cites W1995492062 @default.
- W4306752004 cites W2003498329 @default.
- W4306752004 cites W2004706090 @default.
- W4306752004 cites W2006403075 @default.
- W4306752004 cites W2006834239 @default.
- W4306752004 cites W2007395042 @default.
- W4306752004 cites W2010984301 @default.
- W4306752004 cites W2011327487 @default.
- W4306752004 cites W2014094922 @default.
- W4306752004 cites W2017137493 @default.
- W4306752004 cites W2018244947 @default.
- W4306752004 cites W2020060153 @default.
- W4306752004 cites W2024046694 @default.
- W4306752004 cites W2029204743 @default.
- W4306752004 cites W2030215294 @default.
- W4306752004 cites W2030976617 @default.
- W4306752004 cites W2036282459 @default.
- W4306752004 cites W2037211266 @default.
- W4306752004 cites W2039403115 @default.
- W4306752004 cites W2039488279 @default.
- W4306752004 cites W2040311449 @default.
- W4306752004 cites W2045473123 @default.
- W4306752004 cites W2047717424 @default.
- W4306752004 cites W2047877383 @default.
- W4306752004 cites W2050155328 @default.
- W4306752004 cites W2053318270 @default.
- W4306752004 cites W2053499780 @default.
- W4306752004 cites W2054578120 @default.
- W4306752004 cites W2061408008 @default.
- W4306752004 cites W2062487126 @default.
- W4306752004 cites W2076294934 @default.
- W4306752004 cites W2077624619 @default.
- W4306752004 cites W2080828730 @default.
- W4306752004 cites W2084421514 @default.
- W4306752004 cites W2086869612 @default.
- W4306752004 cites W2089524679 @default.
- W4306752004 cites W2093028512 @default.
- W4306752004 cites W2096465965 @default.
- W4306752004 cites W2147217133 @default.
- W4306752004 cites W2155407946 @default.
- W4306752004 cites W2160174308 @default.
- W4306752004 cites W2231446283 @default.
- W4306752004 cites W2464369194 @default.
- W4306752004 cites W2564167688 @default.
- W4306752004 cites W2783533281 @default.
- W4306752004 cites W2884125284 @default.
- W4306752004 cites W2884418823 @default.
- W4306752004 cites W2905608693 @default.
- W4306752004 cites W2912482801 @default.
- W4306752004 cites W3004441561 @default.
- W4306752004 cites W3005717253 @default.
- W4306752004 cites W3021204671 @default.
- W4306752004 cites W3098294788 @default.
- W4306752004 cites W3101684822 @default.
- W4306752004 cites W3151525518 @default.
- W4306752004 cites W4235384963 @default.
- W4306752004 cites W4238544005 @default.
- W4306752004 cites W4293463310 @default.
- W4306752004 doi "https://doi.org/10.1103/physrevb.106.155133" @default.
- W4306752004 hasPublicationYear "2022" @default.
- W4306752004 type Work @default.
- W4306752004 citedByCount "6" @default.
- W4306752004 countsByYear W43067520042023 @default.
- W4306752004 crossrefType "journal-article" @default.
- W4306752004 hasAuthorship W4306752004A5019751186 @default.
- W4306752004 hasAuthorship W4306752004A5071411016 @default.
- W4306752004 hasAuthorship W4306752004A5081259480 @default.
- W4306752004 hasConcept C120665830 @default.
- W4306752004 hasConcept C121332964 @default.
- W4306752004 hasConcept C136498428 @default.
- W4306752004 hasConcept C153294291 @default.
- W4306752004 hasConcept C159985019 @default.
- W4306752004 hasConcept C184779094 @default.
- W4306752004 hasConcept C192562407 @default.
- W4306752004 hasConcept C2776865275 @default.
- W4306752004 hasConcept C2776921476 @default.
- W4306752004 hasConcept C41999313 @default.
- W4306752004 hasConcept C80316258 @default.
- W4306752004 hasConceptScore W4306752004C120665830 @default.