Complete I 2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+

Monika Stanke, Dariusz Kȩdziera, Sergiy Bubin, Ludwik Adamowicz

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

We report the implementation of the complete set of the lowest-order relativistic corrections of the order of α2 (where α is the fine structure constant) for calculating vibrational states of diatomic molecular systems within the framework that does not assume the Born-Oppenheimer approximation. To test the accuracy of the approach we have performed calculations for all rotationless vibrational states (also called pure vibrational states or S states) of the HeH+ ion in the ground electronic state. For the lowest transitions, where very precise experimental results are available, an excellent agreement with the experimental values has been achieved.

Original languageEnglish
Article number022506
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume77
Issue number2
DOIs
Publication statusPublished - Feb 25 2008
Externally publishedYes

Fingerprint

vibrational states
Born-Oppenheimer approximation
energy
fine structure
electronics
ions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physics and Astronomy(all)

Cite this

Complete I 2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+. / Stanke, Monika; Kȩdziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik.

In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 77, No. 2, 022506, 25.02.2008.

Research output: Contribution to journalArticle

@article{a4ba72fc8a8d42a3b318d5cb682d6c08,
title = "Complete I 2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+",
abstract = "We report the implementation of the complete set of the lowest-order relativistic corrections of the order of {\^I}±2 (where {\^I}± is the fine structure constant) for calculating vibrational states of diatomic molecular systems within the framework that does not assume the Born-Oppenheimer approximation. To test the accuracy of the approach we have performed calculations for all rotationless vibrational states (also called pure vibrational states or S states) of the HeH+ ion in the ground electronic state. For the lowest transitions, where very precise experimental results are available, an excellent agreement with the experimental values has been achieved.",
author = "Monika Stanke and Dariusz Kȩdziera and Sergiy Bubin and Ludwik Adamowicz",
year = "2008",
month = "2",
day = "25",
doi = "10.1103/PhysRevA.77.022506",
language = "English",
volume = "77",
journal = "Physical Review A",
issn = "1050-2947",
publisher = "American Physical Society",
number = "2",

}

TY - JOUR

T1 - Complete I 2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+

AU - Stanke, Monika

AU - Kȩdziera, Dariusz

AU - Bubin, Sergiy

AU - Adamowicz, Ludwik

PY - 2008/2/25

Y1 - 2008/2/25

N2 - We report the implementation of the complete set of the lowest-order relativistic corrections of the order of α2 (where α is the fine structure constant) for calculating vibrational states of diatomic molecular systems within the framework that does not assume the Born-Oppenheimer approximation. To test the accuracy of the approach we have performed calculations for all rotationless vibrational states (also called pure vibrational states or S states) of the HeH+ ion in the ground electronic state. For the lowest transitions, where very precise experimental results are available, an excellent agreement with the experimental values has been achieved.

AB - We report the implementation of the complete set of the lowest-order relativistic corrections of the order of α2 (where α is the fine structure constant) for calculating vibrational states of diatomic molecular systems within the framework that does not assume the Born-Oppenheimer approximation. To test the accuracy of the approach we have performed calculations for all rotationless vibrational states (also called pure vibrational states or S states) of the HeH+ ion in the ground electronic state. For the lowest transitions, where very precise experimental results are available, an excellent agreement with the experimental values has been achieved.

UR - http://www.scopus.com/inward/record.url?scp=40749088006&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=40749088006&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.77.022506

DO - 10.1103/PhysRevA.77.022506

M3 - Article

VL - 77

JO - Physical Review A

JF - Physical Review A

SN - 1050-2947

IS - 2

M1 - 022506

ER -