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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 113, 2015 - Issue 13-14: Special Issue in Honour of Nicholas C. Handy
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Invited Articles

Hybrid variational–perturbation method for calculating ro-vibrational energy levels of polyatomic molecules

A.I. PavlyuchkoDepartment of Physics and Astronomy, Moscow State University of Civil Engineering (MGSU), Moscow, Russia;Department of Physics and Astronomy, University College London, London, UKView further author information
,
S.N. YurchenkoDepartment of Physics and Astronomy, University College London, London, UKORCID Iconhttps://orcid.org/0000-0001-9286-9501View further author information
ORCID Icon &
Jonathan TennysonDepartment of Physics and Astronomy, University College London, London, UKCorrespondence[email protected]
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Pages 1559-1575 | Received 16 Jul 2014, Accepted 20 Nov 2014, Published online: 07 Jan 2015

Citations (13)

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Sergey V. Krasnoshchekov & Xuanhao Chang. (2019) Ladder operators for Morse oscillator and a perturbed vibrational problem. International Reviews in Physical Chemistry 38:1, pages 63-113.
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Articles from other publishers (12)

SeyedAbdolreza Sadjadi & Quentin Parker. (2018) The Astrochemistry Implications of Quantum Chemical Normal Modes Vibrational Analysis. Galaxies 6:4, pages 123.
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Nayla El-Kork, Israa zeid, Hadeel Al Razzouk, Sara Atwani, Racha Abou arkoub & Mahmoud Korek. (2018) Electronic structure with dipole moment calculations of the high-lying electronic states of BeH, MgH and SrH molecules. Journal of Physics Communications 2:5, pages 055030.
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Sergei N. Yurchenko, Frances Sinden, Lorenzo Lodi, Christian Hill, Maire N. Gorman & Jonathan Tennyson. (2018) ExoMol line lists XXIV: a new hot line list for silicon monohydride, SiH. Monthly Notices of the Royal Astronomical Society 473:4, pages 5324-5333.
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Ahmed F. Al-Refaie, Sergei N. Yurchenko & Jonathan Tennyson. (2017) G PU A ccelerated IN tensities MPI (GAIN-MPI): A new method of computing Einstein-A coefficients. Computer Physics Communications 214, pages 216-224.
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Jonathan Tennyson & Sergei N. Yurchenko. (2016) The ExoMol project: Software for computing large molecular line lists. International Journal of Quantum Chemistry 117:2, pages 92-103.
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P. Bryan Changala & Joshua H. Baraban. (2016) Ab initio effective rotational and rovibrational Hamiltonians for non-rigid systems via curvilinear second order vibrational Møller–Plesset perturbation theory . The Journal of Chemical Physics 145:17.
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H-K Chung, B J Braams, K Bartschat, A G Császár, G W F Drake, T Kirchner, V Kokoouline & J Tennyson. (2016) Uncertainty estimates for theoretical atomic and molecular data. Journal of Physics D: Applied Physics 49:36, pages 363002.
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Jonathan Tennyson, Sergei N. Yurchenko, Ahmed F. Al-Refaie, Emma J. Barton, Katy L. Chubb, Phillip A. Coles, S. Diamantopoulou, Maire N. Gorman, Christian Hill, Aden Z. Lam, Lorenzo Lodi, Laura K. McKemmish, Yueqi Na, Alec Owens, Oleg L. Polyansky, Tom Rivlin, Clara Sousa-Silva, Daniel S. Underwood, Andrey Yachmenev & Emil Zak. (2016) The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres. Journal of Molecular Spectroscopy 327, pages 73-94.
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Jonathan Tennyson, Kelsey Hulme, Omree K Naim & Sergei N Yurchenko. (2016) Radiative lifetimes and cooling functions for astrophysically important molecules. Journal of Physics B: Atomic, Molecular and Optical Physics 49:4, pages 044002.
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Xiaohong WangStuart CarterJoel M. Bowman. (2015) Pruning the Hamiltonian Matrix in MULTIMODE: Test for C 2 H 4 and Application to CH 3 NO 2 Using a New Ab Initio Potential Energy Surface . The Journal of Physical Chemistry A 119:47, pages 11632-11640.
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Andrey Yachmenev & Sergei N. Yurchenko. (2015) Automatic differentiation method for numerical construction of the rotational-vibrational Hamiltonian as a power series in the curvilinear internal coordinates using the Eckart frame. The Journal of Chemical Physics 143:1.
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A. I. Pavlyuchko, S. N. Yurchenko & Jonathan Tennyson. (2015) A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid. The Journal of Chemical Physics 142:9.
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