Matches in SemOpenAlex for { <https://semopenalex.org/work/W3208251805> ?p ?o ?g. }
- W3208251805 abstract "Abstract In this brief review, an overview about recent efforts to simulate the spectroscopic signatures of chiral molecules is given with focus on real time propagation approaches to solve the time‐dependent Schrödinger equation. In particular the simulation of electric circular dichroism spectra and vibrational Raman optical activity is discussed. In comparison to linear absorption spectra, where only the response of the electric dipole moment is necessary, the response of the magnetic dipole moment and electric quadrupole moment is more intricate. Issues such as gauge origin dependence, basis set dependence, non‐local potentials and the dipole approximation are addressed." @default.
- W3208251805 created "2021-11-08" @default.
- W3208251805 creator A5084103690 @default.
- W3208251805 creator A5089110845 @default.
- W3208251805 date "2021-10-27" @default.
- W3208251805 modified "2023-10-16" @default.
- W3208251805 title "Recent Progress in the Simulation of Chiral Systems with Real Time Propagation Methods" @default.
- W3208251805 cites W1484218020 @default.
- W3208251805 cites W1492018341 @default.
- W3208251805 cites W1512452263 @default.
- W3208251805 cites W1533482392 @default.
- W3208251805 cites W1595695073 @default.
- W3208251805 cites W1632442456 @default.
- W3208251805 cites W1931029863 @default.
- W3208251805 cites W1964998990 @default.
- W3208251805 cites W1967853451 @default.
- W3208251805 cites W1968060441 @default.
- W3208251805 cites W1970386964 @default.
- W3208251805 cites W1971566099 @default.
- W3208251805 cites W1973391438 @default.
- W3208251805 cites W1975651689 @default.
- W3208251805 cites W1977544722 @default.
- W3208251805 cites W1978694446 @default.
- W3208251805 cites W1979195253 @default.
- W3208251805 cites W1980001755 @default.
- W3208251805 cites W1981368803 @default.
- W3208251805 cites W1983281612 @default.
- W3208251805 cites W1987174753 @default.
- W3208251805 cites W1987392436 @default.
- W3208251805 cites W1989728298 @default.
- W3208251805 cites W1991581036 @default.
- W3208251805 cites W1992532138 @default.
- W3208251805 cites W1994853322 @default.
- W3208251805 cites W1995314659 @default.
- W3208251805 cites W1999773845 @default.
- W3208251805 cites W2000770615 @default.
- W3208251805 cites W2012042639 @default.
- W3208251805 cites W2016803455 @default.
- W3208251805 cites W2017324300 @default.
- W3208251805 cites W2017857473 @default.
- W3208251805 cites W2019235763 @default.
- W3208251805 cites W2021628591 @default.
- W3208251805 cites W2023129359 @default.
- W3208251805 cites W2024169162 @default.
- W3208251805 cites W2026028878 @default.
- W3208251805 cites W2030101439 @default.
- W3208251805 cites W2030322893 @default.
- W3208251805 cites W2033979685 @default.
- W3208251805 cites W2034765133 @default.
- W3208251805 cites W2038702212 @default.
- W3208251805 cites W2041705703 @default.
- W3208251805 cites W2042507194 @default.
- W3208251805 cites W2045214161 @default.
- W3208251805 cites W2047031565 @default.
- W3208251805 cites W2049739368 @default.
- W3208251805 cites W2049983246 @default.
- W3208251805 cites W2050938906 @default.
- W3208251805 cites W2052347736 @default.
- W3208251805 cites W2052592541 @default.
- W3208251805 cites W2052672895 @default.
- W3208251805 cites W2052677190 @default.
- W3208251805 cites W2057260301 @default.
- W3208251805 cites W2060201892 @default.
- W3208251805 cites W2061611468 @default.
- W3208251805 cites W2063642952 @default.
- W3208251805 cites W2065410793 @default.
- W3208251805 cites W2073465449 @default.
- W3208251805 cites W2075235319 @default.
- W3208251805 cites W2076260466 @default.
- W3208251805 cites W2082824279 @default.
- W3208251805 cites W2088956350 @default.
- W3208251805 cites W2092188961 @default.
- W3208251805 cites W2093816009 @default.
- W3208251805 cites W2110734173 @default.
- W3208251805 cites W2138175467 @default.
- W3208251805 cites W2139911639 @default.
- W3208251805 cites W2144459212 @default.
- W3208251805 cites W2146779125 @default.
- W3208251805 cites W2149894420 @default.
- W3208251805 cites W2153147080 @default.
- W3208251805 cites W2160140750 @default.
- W3208251805 cites W2162267582 @default.
- W3208251805 cites W2243112535 @default.
- W3208251805 cites W2255964241 @default.
- W3208251805 cites W2276273797 @default.
- W3208251805 cites W2293838676 @default.
- W3208251805 cites W2317267677 @default.
- W3208251805 cites W2321252610 @default.
- W3208251805 cites W2322619595 @default.
- W3208251805 cites W2324340183 @default.
- W3208251805 cites W2331398815 @default.
- W3208251805 cites W2333100238 @default.
- W3208251805 cites W2413145513 @default.
- W3208251805 cites W2435312959 @default.
- W3208251805 cites W2474039666 @default.
- W3208251805 cites W2513598086 @default.
- W3208251805 cites W2560188494 @default.
- W3208251805 cites W2613711733 @default.
- W3208251805 cites W2757428377 @default.
- W3208251805 cites W2766333403 @default.