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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 57, 1986 - Issue 1
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Original Articles

An efficient procedure for the calculation of the vibrational energy levels of any triatomic molecule

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Pages 175-185 | Received 29 Aug 1985, Accepted 19 Sep 1985, Published online: 23 Aug 2006

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (17)

Benjamin Schröder, Oskar Weser, Peter Sebald & Peter Botschwina. (2015) Theoretical rovibrational spectroscopy beyond fc-CCSD(T): the cation CNC+. Molecular Physics 113:13-14, pages 1914-1923.
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Joel M Bowman, Tucker Carrington & Hans-Dieter Meyer. (2008) Variational quantum approaches for computing vibrational energies of polyatomic molecules. Molecular Physics 106:16-18, pages 2145-2182.
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Stuart Carter, Nicholas C. Handy, Yukio Yamaguchi, Justin M. Turney & Henry F. Schaefer III. (2008) Vibrational energy levels for the electronic ground state of the diazocarbene (CNN) molecule. Molecular Physics 106:2-4, pages 357-365.
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CLEMENS WOYWOD. (1998) Localization transformations of orthogonal functions. Molecular Physics 95:4, pages 713-724.
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GUOSEN YAN HUI XIAN DAIQIAN XIE. (1998) A refined potential energy surface and the rovibrational states for the electronic ground state of ozone. Molecular Physics 93:6, pages 867-872.
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DAIQIAN XIE & GUOSEN YAN. (1996) A refined potential energy function for the electronic ground state of NO2 . Molecular Physics 88:5, pages 1349-1355.
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Cristina Puzzarini, Riccardo Tarroni, Paolo Palmieri, Stuart Carter & Luca Dore. (1996) Accurate ab initio prediction of the equilibrium geometry of HCO+ and of rovibration energy levels of DCO+ . Molecular Physics 87:4, pages 879-898.
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Erminia Leonardi, Carlo Petrongolo, Vijaya Keshari, Gerhard Hirsch & RobertJ. Buenker. (1994) Ab initio study of NO2 . Molecular Physics 82:3, pages 553-565.
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MatthewJ. Bramley, WilliamH. Green$suffix/text()$suffix/text() & NicholasC. Handy. (1991) Vibration-rotation coordinates and kinetic energy operators for polyatomic molecules. Molecular Physics 73:6, pages 1183-1208.
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Stuart Carter, NicholasC. Handy, Pavel Rosmus & Gilberte Chambaud. (1990) A variational method for the calculation of spin-rovibronic levels of Renner-Teller triatomic molecules. Molecular Physics 71:3, pages 605-622.
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Jan Makarewicz & Wiesłlaw Łodyga. (1988) Self-consistent internal axes for a rotating-vibrating triatomic molecule. Molecular Physics 64:5, pages 899-919.
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Jacek Koput. (2023) Ab initio potential energy surface and vibration-rotation energy levels of magnesium monohydroxide revisited. Journal of Molecular Spectroscopy, pages 111805.
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Jacek Koput. (2019) Ab initio structure and vibration‐rotation dynamics of germylene, GeH 2 . Journal of Computational Chemistry 40:21, pages 1911-1918.
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Jacek Koput. (2019) Ab initio structure and vibration-rotation dynamics of the formyl and isoformyl cations, HCO+/HOC+ . The Journal of Chemical Physics 150:15.
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Jacek Koput. (2017) Ab initio potential energy surface and vibration-rotation energy levels of sulfur dioxide . Journal of Computational Chemistry 38:12, pages 892-900.
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Jacek Koput. (2013) Ab initio potential energy surface and vibration-rotation energy levels of lithium monohydroxide . The Journal of Chemical Physics 138:23.
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V. P. Bulychev, M. V. Buturlimova & K. G. Tokhadze. (2011) Isotope effects in hydrogen-bonded complexes. Calculation of geometrical and vibrational characteristics of asymmetric isotopologues of [F(HF)2]−. Physical Chemistry Chemical Physics 13:31, pages 14019.
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V. P. Bulychev, M. V. Buturlimova & K. G. Tokhadze. (2010) Influence of isotopic substitution on spectral and structural parameters of an isolated [F(HF)2]— complex. Substitution of a proton by a kaon and a triton. Optics and Spectroscopy 108:6, pages 883-892.
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M. H. Beck & H.-D. Meyer. (2001) Efficiently computing bound-state spectra: A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalization methods. The Journal of Chemical Physics 114:5, pages 2036-2046.
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Jacek Koput & Kirk A Peterson. (1998) The ab initio potential energy surface and spectroscopic constants of HOCl. Chemical Physics Letters 283:3-4, pages 139-146.
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Raffaella Brandi, Fabrizio Santoro & Carlo Petrongolo. (1997) Ab initio study of NO2. VII. Ã 2B2←X̃ 2A1 nonadiabatic Franck–Condon absorption spectrum. Chemical Physics 225:1-3, pages 55-62.
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Jacek Koput & Stuart Carter. (1997) The potential energy surface and vibrational-rotational energy levels of HCP. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 53:8, pages 1091-1100.
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Guosen Yan, Hui Xian & Daiqian Xie. (1997) A potential energy surface for the electronic ground state of N2O. Chemical Physics Letters 271:1-3, pages 157-162.
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Cristina Puzzarini, Riccardo Tarroni, Paolo Palmieri, Jean Demaison & Maria Luisa Senent. (1996) Rovibrational energy levels and equilibrium geometry of HCP. The Journal of Chemical Physics 105:8, pages 3132-3141.
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