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Köppel, Horst, Schubert, Bernd, Lischka, Hans (2008) Conical intersections and strong nonadiabatic coupling effects in singlet-excited acetylene: An ab initio quantum dynamical study. Chemical Physics, 343. 319-328 doi:10.1016/j.chemphys.2007.06.017

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Reference TypeJournal (article/letter/editorial)
TitleConical intersections and strong nonadiabatic coupling effects in singlet-excited acetylene: An ab initio quantum dynamical study
JournalChemical Physics
AuthorsKöppel, HorstAuthor
Schubert, BerndAuthor
Lischka, HansAuthor
Year2008 (January)Volume343
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.06.017Search in ResearchGate
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Mindat Ref. ID5961393Long-form Identifiermindat:1:5:5961393:0
GUID0
Full ReferenceKöppel, Horst, Schubert, Bernd, Lischka, Hans (2008) Conical intersections and strong nonadiabatic coupling effects in singlet-excited acetylene: An ab initio quantum dynamical study. Chemical Physics, 343. 319-328 doi:10.1016/j.chemphys.2007.06.017
Plain TextKöppel, Horst, Schubert, Bernd, Lischka, Hans (2008) Conical intersections and strong nonadiabatic coupling effects in singlet-excited acetylene: An ab initio quantum dynamical study. Chemical Physics, 343. 319-328 doi:10.1016/j.chemphys.2007.06.017
In(n.d.) Chemical Physics Vol. 343. Elsevier BV

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Schubert, Bernd, Köppel, Horst, Lischka, Hans (2005) A wave-packet simulation of the low-lying singlet electronic transitions of acetylene. The Journal of Chemical Physics, 122 (18). 184312pp. doi:10.1063/1.1890865
Mitrić, Roland, Bonačić-Koutecký, Vlasta, Pittner, Jiří, Lischka, Hans (2006) Ab initio nonadiabatic dynamics study of ultrafast radiationless decay over conical intersections illustrated on the Na3F cluster. The Journal of Chemical Physics, 125 (2). 24303pp. doi:10.1063/1.2209233
Faraji, S., Vazdar, M., Reddy, V. Sivaranjana, Eckert-Maksic, M., Lischka, H., Köppel, H. (2011) Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole. The Journal of Chemical Physics, 135 (15). 154310pp. doi:10.1063/1.3651536
Nikoobakht, Behnam, Dreuw, Andreas, Köppel, Horst (2018) An ab initio quantum dynamical analysis of the vibronic structure of the X2Bg photoelectron spectral band of s-trans-1,3-butadiene. Chemical Physics, 515. 654-662 doi:10.1016/j.chemphys.2018.07.024
Köppel, H., Cederbaum, L. S., Domcke, W. (1982) Strong nonadiabatic effects and conical intersections in molecular spectroscopy and unimolecular decay: C2H4+. The Journal of Chemical Physics, 77 (4) 2014-2022 doi:10.1063/1.444055
Nikoobakht, Behnam, Dreuw, Andreas, Köppel, Horst (2019) Excited state dynamics of the s-trans-1, 3-butadiene cation: An ab initio quantum dynamical analysis. The Journal of Chemical Physics, 151 (10). 104105pp. doi:10.1063/1.5108610
Schreiber, Marko, Barbatti, Mario, Zilberg, Shmuel, Lischka, Hans, González, Leticia (2007) An Ab Initio Study of the Excited States, Isomerization Energy Profiles and Conical Intersections of a Chiral Cyclohexylidene Derivative. The Journal of Physical Chemistry A, 111 (2). 238-243 doi:10.1021/jp066090x
Lévêque, Camille, Köppel, Horst, Taïeb, Richard (2014) Excited state dynamics in SO2. III. An ab initio quantum study of single- and multi-photon ionization. The Journal of Chemical Physics, 140 (20). 204303pp. doi:10.1063/1.4875037
Lischka, Hans, Karpfen, Alfred (1986) Ab initio calculations on the excited states of π-systems. I. Valence excitations in acetylene. Chemical Physics, 102. 77-89 doi:10.1016/0301-0104(86)85119-9
Döscher, M., Köppel, H. (1997) Multiple surface intersections and strong nonadiabatic coupling effects between the D̃ 2E1u and Ẽ 2B2u states of C6H6+. Chemical Physics, 225. 93-105 doi:10.1016/s0301-0104(97)00228-0
Titov, Evgenii, Humeniuk, Alexander, Mitrić, Roland (2020) Comparison of moving and fixed basis sets for nonadiabatic quantum dynamics at conical intersections. Chemical Physics, 528. 110526pp. doi:10.1016/j.chemphys.2019.110526
 
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