### Abstract

Very accurate variational calculations of the five lowest vibrational states of the ^{3}He^{4}He^{+} ion are carried out within a framework that does not assume the Born-Oppenheimer (BO) approximation, i.e., treating the two nuclei and three electrons forming the system on an equal footing. The non-BO wave functions are expanded in terms of one-center explicitly correlated Gaussian functions multiplied by even powers of the internuclear distance. The wave functions are used to calculate the leading relativistic corrections. The approach reproduces the experimental ^{3}He^{4}He^{+} fundamental transition within 0.055 cm^{-1} and similar accuracy is expected for the higher yet unmeasured vibrational transitions determined in the present calculations.

Original language | English |
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Pages (from-to) | 229-231 |

Number of pages | 3 |

Journal | Chemical Physics Letters |

Volume | 500 |

Issue number | 4-6 |

DOIs | |

Publication status | Published - Nov 19 2010 |

### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

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## Cite this

^{3}He

^{4}He

^{+}ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections.

*Chemical Physics Letters*,

*500*(4-6), 229-231. https://doi.org/10.1016/j.cplett.2010.10.021