Matches in SemOpenAlex for { <https://semopenalex.org/work/W3137604015> ?p ?o ?g. }
- W3137604015 endingPage "024101" @default.
- W3137604015 startingPage "024101" @default.
- W3137604015 abstract "We assess the performance of different protocols for simulating excited-state x-ray absorption spectra. We consider three different protocols based on equation-of-motion coupled-cluster singles and doubles, two of them combined with the maximum overlap method. The three protocols differ in the choice of a reference configuration used to compute target states. Maximum-overlap-method time-dependent density functional theory is also considered. The performance of the different approaches is illustrated using uracil, thymine, and acetylacetone as benchmark systems. The results provide guidance for selecting an electronic structure method for modeling time-resolved x-ray absorption spectroscopy." @default.
- W3137604015 created "2021-03-29" @default.
- W3137604015 creator A5015674929 @default.
- W3137604015 creator A5017686746 @default.
- W3137604015 creator A5057283732 @default.
- W3137604015 creator A5072227524 @default.
- W3137604015 creator A5073264455 @default.
- W3137604015 creator A5074769730 @default.
- W3137604015 date "2021-03-01" @default.
- W3137604015 modified "2023-10-16" @default.
- W3137604015 title "An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy" @default.
- W3137604015 cites W1967937573 @default.
- W3137604015 cites W1968108533 @default.
- W3137604015 cites W1968986081 @default.
- W3137604015 cites W1969159491 @default.
- W3137604015 cites W1971720379 @default.
- W3137604015 cites W1975968626 @default.
- W3137604015 cites W1980523745 @default.
- W3137604015 cites W1989497601 @default.
- W3137604015 cites W1989854295 @default.
- W3137604015 cites W1990345925 @default.
- W3137604015 cites W1993389935 @default.
- W3137604015 cites W1995497075 @default.
- W3137604015 cites W1997808756 @default.
- W3137604015 cites W2002299165 @default.
- W3137604015 cites W2003112431 @default.
- W3137604015 cites W2006667528 @default.
- W3137604015 cites W2008224037 @default.
- W3137604015 cites W2012201957 @default.
- W3137604015 cites W2013673362 @default.
- W3137604015 cites W2014894160 @default.
- W3137604015 cites W2015287785 @default.
- W3137604015 cites W2017692613 @default.
- W3137604015 cites W2017904057 @default.
- W3137604015 cites W2018438075 @default.
- W3137604015 cites W2026172453 @default.
- W3137604015 cites W2026498919 @default.
- W3137604015 cites W2027787937 @default.
- W3137604015 cites W2028310515 @default.
- W3137604015 cites W2028438060 @default.
- W3137604015 cites W2032073646 @default.
- W3137604015 cites W2035942888 @default.
- W3137604015 cites W2037063690 @default.
- W3137604015 cites W2048261400 @default.
- W3137604015 cites W2050056663 @default.
- W3137604015 cites W2053678197 @default.
- W3137604015 cites W2055362140 @default.
- W3137604015 cites W2064821379 @default.
- W3137604015 cites W2066481445 @default.
- W3137604015 cites W2068456919 @default.
- W3137604015 cites W2072040059 @default.
- W3137604015 cites W2072636728 @default.
- W3137604015 cites W2078974987 @default.
- W3137604015 cites W2085399456 @default.
- W3137604015 cites W2086515573 @default.
- W3137604015 cites W2098614082 @default.
- W3137604015 cites W2100949693 @default.
- W3137604015 cites W2110885599 @default.
- W3137604015 cites W2121849560 @default.
- W3137604015 cites W2143981217 @default.
- W3137604015 cites W2160052848 @default.
- W3137604015 cites W2172375121 @default.
- W3137604015 cites W2231756262 @default.
- W3137604015 cites W2258779248 @default.
- W3137604015 cites W2282797407 @default.
- W3137604015 cites W2292335867 @default.
- W3137604015 cites W2317052501 @default.
- W3137604015 cites W2416315907 @default.
- W3137604015 cites W2419387491 @default.
- W3137604015 cites W2506714543 @default.
- W3137604015 cites W2517509526 @default.
- W3137604015 cites W2518282888 @default.
- W3137604015 cites W2522940809 @default.
- W3137604015 cites W2529885630 @default.
- W3137604015 cites W2542614087 @default.
- W3137604015 cites W2570348369 @default.
- W3137604015 cites W2604515236 @default.
- W3137604015 cites W2604561378 @default.
- W3137604015 cites W2622335491 @default.
- W3137604015 cites W2626987025 @default.
- W3137604015 cites W2735355741 @default.
- W3137604015 cites W2766966675 @default.
- W3137604015 cites W2782686874 @default.
- W3137604015 cites W2784192443 @default.
- W3137604015 cites W2786811313 @default.
- W3137604015 cites W2787205668 @default.
- W3137604015 cites W2791450875 @default.
- W3137604015 cites W2804064950 @default.
- W3137604015 cites W2808363004 @default.
- W3137604015 cites W2895182328 @default.
- W3137604015 cites W2897048435 @default.
- W3137604015 cites W2897191650 @default.
- W3137604015 cites W2905689813 @default.
- W3137604015 cites W2926421617 @default.
- W3137604015 cites W2929669036 @default.
- W3137604015 cites W2939341762 @default.
- W3137604015 cites W2949997903 @default.
- W3137604015 cites W2950808903 @default.