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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 101, 2003 - Issue 1-2
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Original Articles

Rovibrational states of H+3. Part 2: The energy region between 9000 cm−1 and 13000 cm−1 including empirical corrections for the non-adiabatic effects

P. SCHIFFELS Fakultät für Chemie, Theoretische Chemie, Universität Bielefeld, 33501, Bielefeld, Germany
,
A. ALIJAH Departmento de Química, Universidade de Coimbra, 3004-535, Coimbra, Portugal
&
J. HINZE Fakultät für Chemie, Theoretische Chemie, Universität Bielefeld, 33501, Bielefeld, Germany
Pages 189-209 | Received 19 Sep 2001, Accepted 01 Dec 2001, Published online: 25 Nov 2009

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Ralph Jaquet & Mykhaylo V. Khoma. (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 116:23-24, pages 3507-3518.
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Tomás González-Lezana & Pascal Honvault. (2014) The H+ + H2 reaction. International Reviews in Physical Chemistry 33:3, pages 371-395.
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Ralph Jaquet. (2013) Investigation of the highest bound ro-vibrational states of H+ 3, DH+ 2, HD+ 2, D+ 3, and T+ 3: use of a non-direct product basis to compute the highest allowed J > 0 states. Molecular Physics 111:16-17, pages 2606-2616.
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Articles from other publishers (37)

János Sarka & Bill Poirier. (2022) Assigning quantum labels and improving accuracy for the ro-vibrational eigenstates of H3+ calculated using ScalIT. Frontiers in Physics 10.
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János Sarka, Debojyoti Das & Bill Poirier. (2021) Calculation of rovibrational eigenstates of H3+ using ScalIT . AIP Advances 11:4.
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Ralph Jaquet & Michal Lesiuk. (2020) Analysis of QED and non-adiabaticity effects on the rovibrational spectrum of H3+ using geometry-dependent effective nuclear masses. The Journal of Chemical Physics 152:10.
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Paulo H. R. Amaral, Monika Stanke, Ludwik Adamowicz, Leonardo G. Diniz, José R. Mohallem & Alexander Alijah. (2019) Non-adiabatic effects in the H 3 + spectrum . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 377:2154, pages 20180411.
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Mykhaylo Khoma & Ralph Jaquet. (2018) A perturbative approach for the construction of the non-adiabatic nuclear kinetic energy operator for diatomic and triatomic systems. Journal of Mathematical Chemistry 57:3, pages 701-725.
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Jonathan Tennyson, Oleg L Polyansky, Nikolai F Zobov, Alexander Alijah & Attila G Császár. (2017) High-accuracy calculations of the rotation-vibration spectrum of ${{\rm{H}}}_{3}^{+}$. Journal of Physics B: Atomic, Molecular and Optical Physics 50:23, pages 232001.
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Ralph Jaquet & Mykhaylo V. Khoma. (2017) Investigation of Nonadiabatic Effects for the Vibrational Spectrum of a Triatomic Molecule: The Use of a Single Potential Energy Surface with Distance-Dependent Masses for H 3 + . The Journal of Physical Chemistry A 121:37, pages 7016-7030.
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Irina I. Mizus, Alexander Alijah, Nikolai F. Zobov, Lorenzo Lodi, Aleksandra A. Kyuberis, Sergei N. Yurchenko, Jonathan Tennyson & Oleg L. Polyansky. (2017) ExoMol molecular line lists – XX. A comprehensive line list for H3+. Monthly Notices of the Royal Astronomical Society 468:2, pages 1717-1725.
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Ralph Jaquet & Tucker CarringtonJr.Jr.. (2013) Using a Nondirect Product Basis to Compute J > 0 Rovibrational States of H 3 + . The Journal of Physical Chemistry A 117:39, pages 9493-9500.
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Leonardo G. Diniz, José Rachid Mohallem, Alexander Alijah, Michele Pavanello, Ludwik Adamowicz, Oleg L. Polyansky & Jonathan Tennyson. (2013) Vibrationally and rotationally nonadiabatic calculations on using coordinate-dependent vibrational and rotational masses . Physical Review A 88:3.
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Ludwik Adamowicz & Michele Pavanello. (2012) Progress in calculating the potential energy surface of H 3 + . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 370:1978, pages 5001-5013.
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Max Berg, Andreas Wolf & Annemieke Petrignani. (2012) Visible transitions from ground state H 3 + measured with high-sensitivity action spectroscopy . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 370:1978, pages 5028-5040.
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Oleg L. Polyansky, Alexander Alijah, Nikolai F. Zobov, Irina I. Mizus, Roman I. Ovsyannikov, Jonathan Tennyson, Lorenzo Lodi, Tamás Szidarovszky & Attila G. Császár. (2012) Spectroscopy of H 3 + based on a new high-accuracy global potential energy surface . Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 370:1978, pages 5014-5027.
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Michele Pavanello, Ludwik Adamowicz, Alexander Alijah, Nikolai F. Zobov, Irina I. Mizus, Oleg L. Polyansky, Jonathan Tennyson, Tamás Szidarovszky & Attila G. Császár. (2012) Calibration-quality adiabatic potential energy surfaces for ${\rm H}_3^+$H3+ and its isotopologues. The Journal of Chemical Physics 136:18.
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Ralph Jaquet & Mykhaylo V. Khoma. (2012) A systematic investigation of the ground state potential energy surface of \documentclass[12pt]{minimal}\begin{document}${\rm H}_3^+$\end{document}H3+. The Journal of Chemical Physics 136:15.
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Michele Pavanello, Ludwik Adamowicz, Alexander Alijah, Nikolai F. Zobov, Irina I. Mizus, Oleg L. Polyansky, Jonathan Tennyson, Tamás Szidarovszky, Attila G. Császár, Max Berg, Annemieke Petrignani & Andreas Wolf. (2012) Precision Measurements and Computations of Transition Energies in Rotationally Cold Triatomic Hydrogen Ions up to the Midvisible Spectral Range. Physical Review Letters 108:2.
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Ch. Jungen & S. T. Pratt. (2010) Low-energy dissociative recombination in small polyatomic molecules. The Journal of Chemical Physics 133:21.
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Alexander Alijah. (2010) Accurate calculations and assignments of above-barrier states of up to. Journal of Molecular Spectroscopy 264:2, pages 111-119.
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Ralph Jaquet. (2009) Spectroscopy of H 3 + with energies above the barrier to linearity: rovibrational transitions in the range of 10,000–14,000 cm−1. Theoretical Chemistry Accounts 127:3, pages 157-173.
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Alexander Alijah, Dirk Andrae & Juergen Hinze. (2009) An empirical formula to estimate off-diagonal adiabatic corrections to rotation–vibrational energy levels. Theoretical Chemistry Accounts 127:3, pages 149-155.
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Rafał A. Bachorz, Wojciech Cencek, Ralph Jaquet & Jacek Komasa. (2009) Rovibrational energy levels of H3+ with energies above the barrier to linearity. The Journal of Chemical Physics 131:2, pages 024105.
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Christopher P. Morong, Jennifer L. Gottfried & Takeshi Oka. (2009) as the benchmark for rigorous ab initio theory. Journal of Molecular Spectroscopy 255:1, pages 13-23.
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Alexander Alijah. 2009. SelfOrganization of Molecular Systems. SelfOrganization of Molecular Systems 1 10 .
Holger Kreckel, Dennis Bing, Sascha Reinhardt, Annemieke Petrignani, Max Berg & Andreas Wolf. (2008) Chemical probing spectroscopy of H3+ above the barrier to linearity. The Journal of Chemical Physics 129:16.
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Luis Velilla, Bruno Lepetit, Alfredo Aguado, J. Alberto Beswick & Miguel Paniagua. (2008) The H3+ rovibrational spectrum revisited with a global electronic potential energy surface. The Journal of Chemical Physics 129:8.
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A. D. Bykov, T. M. Petrova, L. N. Sinitsa, A. M. Solodov & V. G. Sokovikov. (2008) Absorption spectrum of H 3 + near 1.06 μm. Optics and Spectroscopy 105:1, pages 21-24.
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František Karlický, Bruno Lepetit, René Kalus, Ivana Paidarová & Florent Xavier Gadéa. (2008) Modeling of HeN+ clusters. II. Calculation of He3+ vibrational spectrum. The Journal of Chemical Physics 128:12.
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Jennifer L Gottfried. (2006) Near-infrared spectroscopy of above the barrier to linearity. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 364:1848, pages 2917-2929.
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Alexander Alijah & Juergen Hinze. (2006) Rotation–vibrational states of and the adiabatic approximation. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 364:1848, pages 2877-2888.
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T. R. GeballeT. Oka. (2006) A Key Molecular Ion in the Universe and in the Laboratory. Science 312:5780, pages 1610-1612.
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Luis P. Viegas, Alexander Alijah & António J. C. Varandas. (2005) Symmetry Analysis of the Vibronic States in the Upper Conical Potential (2 3 A‘) of Triplet . The Journal of Physical Chemistry A 109:15, pages 3307-3310.
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Gábor Czakó, Viktor Szalay, Attila G. Császár & Tibor Furtenbacher. (2005) Treating singularities present in the Sutcliffe-Tennyson vibrational Hamiltonian in orthogonal internal coordinates. The Journal of Chemical Physics 122:2.
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Luis P. Viegas, Mihail Cernei, Alexander Alijah & António J. C. Varandas. (2004) Accurate double many-body expansion potential energy surface for triplet H3+. II. The upper adiabatic sheet (2 3A′). The Journal of Chemical Physics 120:1, pages 253-259.
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Alexander Alijah, Luı́s P Viegas, Mihail Cernei & António J.C Varandas. (2003) Ro-vibrational states of triplet H3+ (a3Σu+): The lowest 19 bands. Journal of Molecular Spectroscopy 221:2, pages 163-173.
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Viatcheslav Kokoouline & Chris H. Greene. (2003) Unified theoretical treatment of dissociative recombination of triatomic ions: Application to and . Physical Review A 68:1.
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Jennifer L. Gottfried, Benjamin J. McCall & Takeshi Oka. (2003) Near-infrared spectroscopy of H3+ above the barrier to linearity. The Journal of Chemical Physics 118:24, pages 10890-10899.
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Ralph Jaquet. 2003. Explicitly Correlated Wave Functions in Chemistry and Physics. Explicitly Correlated Wave Functions in Chemistry and Physics 503 554 .

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