Matches in SemOpenAlex for { <https://semopenalex.org/work/W4226296386> ?p ?o ?g. }
- W4226296386 abstract "We present a formulation and implementation of anisotropic and isotropic electronic circular dichroism (ECD) using the full semi-classical light-matter interaction operator within a four-component relativistic framework. Our treatment uniquely accounts for both beyond-first-order light-matter interactions and relativistic effects, enabling us to investigate the ECD response across the electromagnetic spectrum from optical to x-ray wavelengths where relativistic selection rules and spatial field variations gain increasing importance. We consider the isotropic and oriented ECD across the valence transition and sulfur L- and K-edge transitions in the simplest disulfides, H2S2 and (CH3S)2, and evaluate the influence of the full interaction by comparing to a traditional truncated formulation in the Coulomb gauge (velocity representation). Additionally, we demonstrate that in the relativistic formalism, it is possible to work in the velocity representation, hence keeping order-by-order gauge-origin invariance, contrary to the multipolar gauge, yet being able to distinguish electric and magnetic multipole contributions. Going beyond a first-order treatment in the wave vector is mandatory in the higher-energy end of the soft x-ray region and beyond where the consequent intensity redistribution becomes significant. While the sulfur K-edge absorption spectrum is essentially unaffected by this redistribution, the signed differential counterpart is not: At least third-order contributions are required to describe the differential absorption profile that is otherwise overestimated by a factor of about two. The first-order description deteriorates at higher transition energies (beyond ∼1000 eV) where it may even fail to predict the sign of individual differential oscillator strengths." @default.
- W4226296386 created "2022-05-05" @default.
- W4226296386 creator A5010300739 @default.
- W4226296386 creator A5075596673 @default.
- W4226296386 creator A5084672632 @default.
- W4226296386 date "2022-02-03" @default.
- W4226296386 modified "2023-09-30" @default.
- W4226296386 title "Probing chirality across the electromagnetic spectrum with the full semi-classical light–matter interaction" @default.
- W4226296386 cites W1512452263 @default.
- W4226296386 cites W1651052944 @default.
- W4226296386 cites W1812895219 @default.
- W4226296386 cites W1931029863 @default.
- W4226296386 cites W1963511954 @default.
- W4226296386 cites W1964509429 @default.
- W4226296386 cites W1971093080 @default.
- W4226296386 cites W1973296021 @default.
- W4226296386 cites W1975758354 @default.
- W4226296386 cites W1980848684 @default.
- W4226296386 cites W1981179376 @default.
- W4226296386 cites W1981368803 @default.
- W4226296386 cites W1982809301 @default.
- W4226296386 cites W1983281612 @default.
- W4226296386 cites W1985773463 @default.
- W4226296386 cites W1987186437 @default.
- W4226296386 cites W1988861689 @default.
- W4226296386 cites W1991828094 @default.
- W4226296386 cites W1992065614 @default.
- W4226296386 cites W1994839466 @default.
- W4226296386 cites W1995485797 @default.
- W4226296386 cites W1999417271 @default.
- W4226296386 cites W2001007219 @default.
- W4226296386 cites W2002197609 @default.
- W4226296386 cites W2003044991 @default.
- W4226296386 cites W2008213981 @default.
- W4226296386 cites W2008423326 @default.
- W4226296386 cites W2009140964 @default.
- W4226296386 cites W2012476498 @default.
- W4226296386 cites W2018869221 @default.
- W4226296386 cites W2020693054 @default.
- W4226296386 cites W2023271753 @default.
- W4226296386 cites W2024533005 @default.
- W4226296386 cites W2026173496 @default.
- W4226296386 cites W2026536264 @default.
- W4226296386 cites W2030138871 @default.
- W4226296386 cites W2031644385 @default.
- W4226296386 cites W2035586022 @default.
- W4226296386 cites W2037177783 @default.
- W4226296386 cites W2038533471 @default.
- W4226296386 cites W2041881394 @default.
- W4226296386 cites W2045214161 @default.
- W4226296386 cites W2046521120 @default.
- W4226296386 cites W2050259998 @default.
- W4226296386 cites W2050717189 @default.
- W4226296386 cites W2050742404 @default.
- W4226296386 cites W2055787813 @default.
- W4226296386 cites W2056103845 @default.
- W4226296386 cites W2061001669 @default.
- W4226296386 cites W2061115527 @default.
- W4226296386 cites W2062892373 @default.
- W4226296386 cites W2063616991 @default.
- W4226296386 cites W2063828656 @default.
- W4226296386 cites W2064821379 @default.
- W4226296386 cites W2065207209 @default.
- W4226296386 cites W2068522337 @default.
- W4226296386 cites W2069006374 @default.
- W4226296386 cites W2071060074 @default.
- W4226296386 cites W2077947200 @default.
- W4226296386 cites W2082504437 @default.
- W4226296386 cites W2084288569 @default.
- W4226296386 cites W2085197771 @default.
- W4226296386 cites W2090338919 @default.
- W4226296386 cites W2092950113 @default.
- W4226296386 cites W2129126460 @default.
- W4226296386 cites W2134389839 @default.
- W4226296386 cites W2137093109 @default.
- W4226296386 cites W2138467546 @default.
- W4226296386 cites W2143981217 @default.
- W4226296386 cites W2145678380 @default.
- W4226296386 cites W2148284063 @default.
- W4226296386 cites W2171136147 @default.
- W4226296386 cites W2255052572 @default.
- W4226296386 cites W2302405803 @default.
- W4226296386 cites W2315325761 @default.
- W4226296386 cites W2418214932 @default.
- W4226296386 cites W2516471639 @default.
- W4226296386 cites W2702988150 @default.
- W4226296386 cites W2763807229 @default.
- W4226296386 cites W2792787788 @default.
- W4226296386 cites W2804996254 @default.
- W4226296386 cites W2902142070 @default.
- W4226296386 cites W2907525903 @default.
- W4226296386 cites W2918284225 @default.
- W4226296386 cites W2945991944 @default.
- W4226296386 cites W3004184352 @default.
- W4226296386 cites W3099034635 @default.
- W4226296386 cites W3128844817 @default.
- W4226296386 cites W4233089139 @default.
- W4226296386 cites W4240035468 @default.
- W4226296386 cites W608467400 @default.
- W4226296386 cites W2029181200 @default.