Matches in SemOpenAlex for { <https://semopenalex.org/work/W2567215560> ?p ?o ?g. }
- W2567215560 endingPage "276" @default.
- W2567215560 startingPage "265" @default.
- W2567215560 abstract "The ultrafast decay dynamics of 4-(N,N-dimethylamino)benzonitrile (DMABN) following photoexcitation was studied with the ab initio multiple spawning (AIMS) method, combined with GPU-accelerated linear-response time-dependent density functional theory (LR-TDDFT). We validate the LR-TDDFT method for this case and then present a detailed analysis of the first ≈200 fs of DMABN excited-state dynamics. Almost complete nonadiabatic population transfer from S2 (the initially populated bright state) to S1 takes place in less than 50 fs, without significant torsion of the dimethylamino (DMA) group. Significant torsion of the DMA group is only observed after the nuclear wavepacket reaches S1 and acquires locally excited electronic character. Our results show that torsion of the DMA group is not prerequisite for nonadiabatic transitions in DMABN, although such motion is indeed relevant on the lowest excited state (S1)." @default.
- W2567215560 created "2017-01-06" @default.
- W2567215560 creator A5032216616 @default.
- W2567215560 creator A5040462364 @default.
- W2567215560 creator A5085817833 @default.
- W2567215560 date "2017-01-03" @default.
- W2567215560 modified "2023-09-25" @default.
- W2567215560 title "Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs" @default.
- W2567215560 cites W1498377335 @default.
- W2567215560 cites W1534726296 @default.
- W2567215560 cites W1613759268 @default.
- W2567215560 cites W1964383467 @default.
- W2567215560 cites W1965600830 @default.
- W2567215560 cites W1968241508 @default.
- W2567215560 cites W1970157646 @default.
- W2567215560 cites W1971749752 @default.
- W2567215560 cites W1973194487 @default.
- W2567215560 cites W1975155744 @default.
- W2567215560 cites W1978188449 @default.
- W2567215560 cites W1981931891 @default.
- W2567215560 cites W1984601243 @default.
- W2567215560 cites W1985212850 @default.
- W2567215560 cites W1985535918 @default.
- W2567215560 cites W1986473729 @default.
- W2567215560 cites W1990345925 @default.
- W2567215560 cites W1992425251 @default.
- W2567215560 cites W1993362494 @default.
- W2567215560 cites W1995497075 @default.
- W2567215560 cites W1996116070 @default.
- W2567215560 cites W2001177502 @default.
- W2567215560 cites W2001309031 @default.
- W2567215560 cites W2001323304 @default.
- W2567215560 cites W2001457800 @default.
- W2567215560 cites W2002256285 @default.
- W2567215560 cites W2007084340 @default.
- W2567215560 cites W2007863368 @default.
- W2567215560 cites W2008882402 @default.
- W2567215560 cites W2012567637 @default.
- W2567215560 cites W2013673362 @default.
- W2567215560 cites W2015581759 @default.
- W2567215560 cites W2016494318 @default.
- W2567215560 cites W2019771399 @default.
- W2567215560 cites W2025061100 @default.
- W2567215560 cites W2027767599 @default.
- W2567215560 cites W2028022118 @default.
- W2567215560 cites W2029204743 @default.
- W2567215560 cites W2029667189 @default.
- W2567215560 cites W2030976617 @default.
- W2567215560 cites W2035942888 @default.
- W2567215560 cites W2037956886 @default.
- W2567215560 cites W2038225411 @default.
- W2567215560 cites W2039149282 @default.
- W2567215560 cites W2042951945 @default.
- W2567215560 cites W2044393316 @default.
- W2567215560 cites W2046124840 @default.
- W2567215560 cites W2046270983 @default.
- W2567215560 cites W2052567647 @default.
- W2567215560 cites W2056424663 @default.
- W2567215560 cites W2058363175 @default.
- W2567215560 cites W2058398316 @default.
- W2567215560 cites W2058465572 @default.
- W2567215560 cites W2058970057 @default.
- W2567215560 cites W2059104184 @default.
- W2567215560 cites W2062917591 @default.
- W2567215560 cites W2064660445 @default.
- W2567215560 cites W2064798852 @default.
- W2567215560 cites W2066374929 @default.
- W2567215560 cites W2066870295 @default.
- W2567215560 cites W2067304314 @default.
- W2567215560 cites W2068046234 @default.
- W2567215560 cites W2069215288 @default.
- W2567215560 cites W2070235865 @default.
- W2567215560 cites W2071042594 @default.
- W2567215560 cites W2073412675 @default.
- W2567215560 cites W2073474859 @default.
- W2567215560 cites W2074974429 @default.
- W2567215560 cites W2078150942 @default.
- W2567215560 cites W2082037815 @default.
- W2567215560 cites W2083734374 @default.
- W2567215560 cites W2084678932 @default.
- W2567215560 cites W2085440568 @default.
- W2567215560 cites W2087119002 @default.
- W2567215560 cites W2090500549 @default.
- W2567215560 cites W2094294286 @default.
- W2567215560 cites W2095164928 @default.
- W2567215560 cites W2095506274 @default.
- W2567215560 cites W2112427232 @default.
- W2567215560 cites W2126767492 @default.
- W2567215560 cites W2136603482 @default.
- W2567215560 cites W2139168187 @default.
- W2567215560 cites W2141191373 @default.
- W2567215560 cites W2150407957 @default.
- W2567215560 cites W2155417823 @default.
- W2567215560 cites W2156661875 @default.
- W2567215560 cites W2168036745 @default.
- W2567215560 cites W2168851031 @default.
- W2567215560 cites W2178341298 @default.
- W2567215560 cites W2206946177 @default.