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Jaquet, Ralph, Kutzelnigg, Werner (2008) Non-adiabatic theory in terms of a single potential energy surface. The vibration–rotation levels of and. Chemical Physics, 346. 69-76 doi:10.1016/j.chemphys.2008.02.068

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Reference TypeJournal (article/letter/editorial)
TitleNon-adiabatic theory in terms of a single potential energy surface. The vibration–rotation levels of and
JournalChemical Physics
AuthorsJaquet, RalphAuthor
Kutzelnigg, WernerAuthor
Year2008 (May)Volume346
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.02.068Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5961528Long-form Identifiermindat:1:5:5961528:4
GUID0
Full ReferenceJaquet, Ralph, Kutzelnigg, Werner (2008) Non-adiabatic theory in terms of a single potential energy surface. The vibration–rotation levels of and. Chemical Physics, 346. 69-76 doi:10.1016/j.chemphys.2008.02.068
Plain TextJaquet, Ralph, Kutzelnigg, Werner (2008) Non-adiabatic theory in terms of a single potential energy surface. The vibration–rotation levels of and. Chemical Physics, 346. 69-76 doi:10.1016/j.chemphys.2008.02.068
In(n.d.) Chemical Physics Vol. 346. Elsevier BV

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Cencek, Wojciech, Rychlewski, Jacek, Jaquet, Ralph, Kutzelnigg, Werner (1998) Sub-microhartree accuracy potential energy surface for H3+ including adiabatic and relativistic effects. I. Calculation of the potential points. The Journal of Chemical Physics, 108 (7). 2831-2836 doi:10.1063/1.475702
Jaquet, Ralph, Cencek, Wojciech, Kutzelnigg, Werner, Rychlewski, Jacek (1998) Sub-microhartree accuracy potential energy surface for H3+ including adiabatic and relativistic effects. II. Rovibrational analysis for H3+ and D3+. The Journal of Chemical Physics, 108 (7). 2837-2846 doi:10.1063/1.475703
Kutzelnigg, Werner, Jaquet, Ralph (2006) Explicitly correlated potential energy surface of , including relativistic and adiabatic corrections. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 364 (1848) 2855-2876 doi:10.1098/rsta.2006.1871
Röhse, Robert, Kutzelnigg, Werner, Jaquet, Ralph, Klopper, Wim (1994) Potential energy surface of the H+3 ground state in the neighborhood of the minimum with microhartree accuracy and vibrational frequencies derived from it. The Journal of Chemical Physics, 101 (3). 2231-2243 doi:10.1063/1.467663
Jaquet, Ralph, Khoma, Mykhaylo V. (2018) Investigation of non-adiabatic effects for the ro-vibrational spectrum of H3+: the use of a single potential energy surface with geometry-dependent nuclear masses. Molecular Physics, 116. 3507-3518 doi:10.1080/00268976.2018.1464225
Kutzelnigg, Werner, Liu, Wenjian (2008) Matrix formulation of direct perturbation theory of relativistic effects in a kinetically balanced basis. Chemical Physics, 349. 133-146 doi:10.1016/j.chemphys.2008.01.056
Jaquet, Ralph, Röhse, Robert (1995) Rovibrational energy levels and transitions for H3 + computed from a new highly accurate potential energy surface. Molecular Physics, 84. 291-302 doi:10.1080/00268979500100211
Koput, Jacek (2013) Ab initio potential energy surface and vibration-rotation energy levels of lithium monohydroxide. The Journal of Chemical Physics, 138 (23). 234301pp. doi:10.1063/1.4810864
Koput, Jacek, Peterson, Kirk A. (2006) Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH2. The Journal of Chemical Physics, 125 (4). 44306pp. doi:10.1063/1.2212932
Schindler, Michael, Kutzelnigg, Werner (1982) Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. II. Application to some simple molecules. The Journal of Chemical Physics, 76 (4) 1919-1933 doi:10.1063/1.443165
Koput, Jacek (2008) Ab Initio Prediction of the Potential Energy Surface and Vibration−Rotation Energy Levels of CaCl2. The Journal of Physical Chemistry A, 112 (12). 2743-2746 doi:10.1021/jp711785p
 
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