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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 63, 1988 - Issue 1
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Original Articles

A general procedure for the theoretical study of the Λ-doubling

Application to the X2Π states of OH and SH

Regina de Vivie Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstraße 12, D-5300, Bonn 1, F.R. Germany
,
Christel M. Marian Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstraße 12, D-5300, Bonn 1, F.R. Germany; Institute of Theoretical Physics, University of Stockholm, Vanadisvägen 9, S-11346, Stockholm
&
Sigrid D. Peyerimhoff Lehrstuhl für Theoretische Chemie, Universität Bonn, Wegelerstraße 12, D-5300, Bonn 1, F.R. Germany
Pages 3-26 | Received 08 Jul 1987, Accepted 28 Sep 1987, Published online: 23 Aug 2006

Citations (25)

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Read on this site (3)

Christel M. Marian. (2020) Theoretical spectroscopy in the early days of digital computing – an homage to Sigrid D. Peyerimhoff. Molecular Physics 118:21-22.
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Berthelot Said Duvalier Ramlina Vamhindi & Mama Nsangou. (2016) Accurate ab initio potential energy curves and spectroscopic properties of the low-lying electronic states of OH− and SH− molecular anions. Molecular Physics 114:14, pages 2204-2216.
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Pablo J. Bruna & Friedrich Grein. (2006) The X2Π and A2Σ+ states of FH+, ClH+ and BrH+: theoretical study of their -factors and fine/hyperfine structures. Molecular Physics 104:3, pages 429-446.
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Articles from other publishers (22)

K. Mishima & K. Yamashita. (2010) Quantum computing using molecular vibrational and rotational modes of the open-shell 14N16O molecule. Chemical Physics 367:2-3, pages 63-74.
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Valerij S. Gurin, Mikhail V. Korolkov, Vitaly E. Matulis & Sergei K. Rakhmanov. (2007) Symmetry-adapted-cluster configuration interaction study of the doublet states of HCl+: Potential energy curves, dipole moments, and transition dipole moments. The Journal of Chemical Physics 126:12.
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Hélène Lefebvre-Brion & Robert W. Field. 2004. The Spectra and Dynamics of Diatomic Molecules. The Spectra and Dynamics of Diatomic Molecules 87 231 .
Jong Keun Park, Bong Gon Kim & In Sun Koo. (2002) Avoided curve crossings for the dissociation reaction of the Rydberg H3O radical into (OH+H2). Chemical Physics Letters 356:1-2, pages 63-72.
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Martin Kleinschmidt, Timo Fleig & Christel M. Marian. (2002) Kramers-Type Splitting in the X2Π and a4Σ− States of CH and CD Calculated in a Hund's Case (a) Basis. Journal of Molecular Spectroscopy 211:2, pages 179-188.
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Denis A Firsov, Bella L Grigorenko, Alexander V Nemukhin, Leonid Yu Khriachtchev & Markku O Räsänen. (2001) Emission of SH radicals in solid krypton: mixed quantum-classical molecular dynamics simulations. Chemical Physics Letters 338:4-6, pages 317-322.
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Bella Grigorenko, Leonid Khriachtchev, Alexandr Nemukhin, Mika Pettersson, Esa Isoniemi & Markku Räsänen. (1999) Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations. The Journal of Chemical Physics 110:12, pages 5836-5843.
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A.V Nemukhin, B.L Grigorenko & A.A Granovsky. (1999) Ab initio potential curves of the fragments and diatomics-in-molecules potential energy surfaces for the SH⋯Kr complex. Chemical Physics Letters 301:3-4, pages 287-296.
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M.V. Korolkov & B. Schmidt. (1998) Vibrationally state-selective laser pulse control of electronic branching in OH (X/A) photoassociation. Chemical Physics 237:1-2, pages 123-138.
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A.V. Nemukhin & B.L. Grigorenko. (1997) Ab initio potential functions for the ionic states of OH. Chemical Physics Letters 276:3-4, pages 171-176.
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Xiushan Chen & Lesley A Morgan. (1997) Low-energy electron scattering from the X state of the OH molecule. Journal of Physics B: Atomic, Molecular and Optical Physics 30:16, pages 3709-3717.
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A.J.C. Varandas & A.I. Voronin. (1995) Calculation of the asymptotic interaction and modelling of the potential energy curves of OH and OH+. Chemical Physics 194:1, pages 91-100.
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Christel M. Marian. (2010) An Approach to the Calculation of Ω‐Splittings in Diatomic Molecules with Strongly Coupled Electronic States and its Application to NiH and NiD. Berichte der Bunsengesellschaft für physikalische Chemie 99:3, pages 254-264.
Crossref
E. Tiemann. 1995. Diatomic Radicals and Ions. Diatomic Radicals and Ions 155 158 .
Kyoung Koo Baeck & Yoon Sup Lee. (1994) Effects of the magnetic part of the Breit term on the 2Π states of diatomic hydrides. The Journal of Chemical Physics 100:4, pages 2888-2895.
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G. Stark, J. W. Brault & M. C. Abrams. (1994) Fourier-transform spectra of the A ^2Σ^+-X ^2Π Δν = 0 bands of OH and OD. Journal of the Optical Society of America B 11:1, pages 3.
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Jong Keun Park & Hosung Sun. (1992) Ab initio effective Hamiltonian calculations on the valence states of SH and SH+. Chemical Physics Letters 194:4-6, pages 485-491.
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C. M. Marian. (1990) Quasirelativistic calculation of the vibronic spectra of NiH and NiD. The Journal of Chemical Physics 93:2, pages 1176-1186.
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Bernhard Gemein, Regina de Vivie & Sigrid D. Peyerimhoff. (1990) A b   i n i t i o study of the three lowest states X  2∑+, 2Π1/2, 2Π3/2, and B  2∑+ of the HeNe+ ion: Potential energy curves, Λ doubling, and predissociation rates of the rotational levels in the 2Π1/2 ( v =0) state . The Journal of Chemical Physics 93:2, pages 1165-1175.
Crossref
David D. NelsonJr.Jr., Aram Schiffman & David J. Nesbitt. (1989) The dipole moment function and vibrational transition intensities of OH. The Journal of Chemical Physics 90:10, pages 5455-5465.
Crossref
David D. NelsonJr.Jr., Aram Schiffman, David J. Nesbitt & David J. Yaron. (1989) Absolute infrared transition moments for open shell diatomics from J dependence of transition intensities: Application to OH . The Journal of Chemical Physics 90:10, pages 5443-5454.
Crossref
Regina de Vivie & Sigrid D. Peyerimhoff. (1989) Theoretical spectroscopy of the NO radical. II. Λ doubling in the ground X  2Π state and spin–orbit effects in the excited Π states . The Journal of Chemical Physics 90:7, pages 3660-3670.
Crossref

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