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Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik (2013) Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions. The Journal of Chemical Physics, 139 (20). 204105pp. doi:10.1063/1.4834596

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Reference TypeJournal (article/letter/editorial)
TitleCharge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions
JournalThe Journal of Chemical Physics
AuthorsKirnosov, NikitaAuthor
Sharkey, Keeper L.Author
Adamowicz, LudwikAuthor
Year2013 (November 28)Volume139
Issue20
PublisherAIP Publishing
DOIdoi:10.1063/1.4834596Search in ResearchGate
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Mindat Ref. ID2364384Long-form Identifiermindat:1:5:2364384:4
GUID0
Full ReferenceKirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik (2013) Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions. The Journal of Chemical Physics, 139 (20). 204105pp. doi:10.1063/1.4834596
Plain TextKirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik (2013) Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions. The Journal of Chemical Physics, 139 (20). 204105pp. doi:10.1063/1.4834596
In(2013, November) The Journal of Chemical Physics Vol. 139 (20) AIP Publishing

See Also

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Kirnosov, Nikita, Sharkey, Keeper, Adamowicz, Ludwik (2014) Charge asymmetry in the rovibrationally excited HD molecule. The Journal of Chemical Physics, 140 (10). 104115pp. doi:10.1063/1.4867912
Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik (2013) Non-Born-Oppenheimer method for direct variational calculations of diatomic first excited rotational states using explicitly correlated all-particle Gaussian functions. Physical Review A, 88 (3). doi:10.1103/physreva.88.032513
Sharkey, Keeper L., Kirnosov, N., Adamowicz, Ludwik (2013) An algorithm for non-Born-Oppenheimer quantum mechanical variational calculations of N = 1 rotationally excited states of diatomic molecules using all-particle explicitly correlated Gaussian functions. The Journal of Chemical Physics, 139 (16). 164119pp. doi:10.1063/1.4826450
Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik (2013) An algorithm for quantum mechanical finite-nuclear-mass variational calculations of atoms with L = 3 using all-electron explicitly correlated Gaussian basis functions. The Journal of Chemical Physics, 138 (10). 104107pp. doi:10.1063/1.4794192
Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik (2015) Para–ortho isomerization of H2+. Non-Born–Oppenheimer direct variational calculations with explicitly correlated all-particle Gaussian functions. Chemical Physics Letters, 621. 134-140 doi:10.1016/j.cplett.2014.12.060
Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik (2015) Direct non-Born-Oppenheimer variational calculations of all bound vibrational states corresponding to the first rotational excitation of D2 performed with explicitly correlated all-particle Gaussian functions. The Journal of Chemical Physics, 142 (17). 174307pp. doi:10.1063/1.4919417
Formanek, Martin, Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik (2014) A comparison of two types of explicitly correlated Gaussian functions for non-Born-Oppenheimer molecular calculations using a model potential. The Journal of Chemical Physics, 141 (15). 154103pp. doi:10.1063/1.4897634
Tung, Wei-Cheng, Pavanello, Michele, Sharkey, Keeper L., Kirnosov, Nikita, Adamowicz, Ludwik (2013) Analytical energy gradient used in variational Born-Oppenheimer calculations with all-electron explicitly correlated Gaussian functions for molecules containing one π electron. The Journal of Chemical Physics, 138 (12). 124101pp. doi:10.1063/1.4795094
Jones, Keith, Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik (2016) Charge asymmetry and rovibrational excitations of HD+. Molecular Physics, 114. 2052-2073 doi:10.1080/00268976.2016.1177666
Kirnosov, Nikita, Sharkey, Keeper L., Adamowicz, Ludwik (2015) Ortho–para nuclear-spin isomerization energies for all bound vibrational states of ditritium (T2) from non-Born–Oppenheimer variational calculations performed with explicitly correlated all-particle Gaussian functions. Chemical Physics Letters, 640. 61-67 doi:10.1016/j.cplett.2015.10.017
Sharkey, Keeper L., Bubin, Sergiy, Adamowicz, Ludwik (2011) An algorithm for calculating atomic D states with explicitly correlated Gaussian functions. The Journal of Chemical Physics, 134 (4). 44120pp. doi:10.1063/1.3523348
 
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