Vibrational transitions of the 7LiH+ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

Sergiy Bubin; Monika Stanke; Ludwik Adamowicz

doi:10.1063/1.3525679

Vibrational transitions of the ⁷LiH⁺ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

Sergiy Bubin
, Monika Stanke
, Ludwik Adamowicz

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

We recently presented very accurate calculations of the fundamental vibrational frequency of the ⁷LiH⁺ and ³He ⁴He⁺ ions [Stanke et al., Phys. Rev. A 79, 060501(R) (2009)] performed without the Born-Oppenheimer approximation and included leading relativistic corrections. The accuracy of those calculations was estimated to be of the order of 0.06 cm^-1. In the present work we extend the calculations to the remaining pure vibrational states of ⁷LiH⁺ and similarly accurate results are generated. They may lead to the experimental search for still unidentified lines corresponding to those transitions.

Original language	English (US)
Article number	024103
Journal	Journal of Chemical Physics
Volume	134
Issue number	2
DOIs	https://doi.org/10.1063/1.3525679
State	Published - Jan 14 2011

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Vibrational transitions of the 7LiH+ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections",

abstract = "We recently presented very accurate calculations of the fundamental vibrational frequency of the 7LiH+ and 3He 4He+ ions [Stanke et al., Phys. Rev. A 79, 060501(R) (2009)] performed without the Born-Oppenheimer approximation and included leading relativistic corrections. The accuracy of those calculations was estimated to be of the order of 0.06 cm-1. In the present work we extend the calculations to the remaining pure vibrational states of 7LiH+ and similarly accurate results are generated. They may lead to the experimental search for still unidentified lines corresponding to those transitions.",

author = "Sergiy Bubin and Monika Stanke and Ludwik Adamowicz",

note = "Funding Information: This work has been supported in part by the National Science Foundation. We also acknowledge partial support of this work by the Grant from the Polish Ministry of Science and Higher Education No. N202 041 32/1045. We are grateful to the University of Arizona High Performance Computing Services for providing computer resources for this work.",

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T1 - Vibrational transitions of the 7LiH+ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

AU - Bubin, Sergiy

AU - Stanke, Monika

AU - Adamowicz, Ludwik

N1 - Funding Information: This work has been supported in part by the National Science Foundation. We also acknowledge partial support of this work by the Grant from the Polish Ministry of Science and Higher Education No. N202 041 32/1045. We are grateful to the University of Arizona High Performance Computing Services for providing computer resources for this work.

PY - 2011/1/14

Y1 - 2011/1/14

N2 - We recently presented very accurate calculations of the fundamental vibrational frequency of the 7LiH+ and 3He 4He+ ions [Stanke et al., Phys. Rev. A 79, 060501(R) (2009)] performed without the Born-Oppenheimer approximation and included leading relativistic corrections. The accuracy of those calculations was estimated to be of the order of 0.06 cm-1. In the present work we extend the calculations to the remaining pure vibrational states of 7LiH+ and similarly accurate results are generated. They may lead to the experimental search for still unidentified lines corresponding to those transitions.

AB - We recently presented very accurate calculations of the fundamental vibrational frequency of the 7LiH+ and 3He 4He+ ions [Stanke et al., Phys. Rev. A 79, 060501(R) (2009)] performed without the Born-Oppenheimer approximation and included leading relativistic corrections. The accuracy of those calculations was estimated to be of the order of 0.06 cm-1. In the present work we extend the calculations to the remaining pure vibrational states of 7LiH+ and similarly accurate results are generated. They may lead to the experimental search for still unidentified lines corresponding to those transitions.

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Vibrational transitions of the ⁷LiH⁺ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections

Abstract

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