Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of He3 and He4

Monika Stanke; Dariusz Kȩdziera; Sergiy Bubin; Ludwik Adamowicz

doi:10.1063/1.2735305

Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of He3 and He4

Monika Stanke
, Dariusz Kȩdziera
, Sergiy Bubin
, Ludwik Adamowicz

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

20 Scopus citations

Abstract

In this work the authors present an approach to calculate the leading-order relativistic corrections for ground and excited states of helium isotopomers. In the calculations they used variational wave functions expanded in terms of explicitly correlated Gaussians obtained without assuming the Born-Oppenheimer approximation.

Original language	English (US)
Article number	194312
Journal	Journal of Chemical Physics
Volume	126
Issue number	19
DOIs	https://doi.org/10.1063/1.2735305
State	Published - 2007

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.2735305

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title = "Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of He3 and He4",

abstract = "In this work the authors present an approach to calculate the leading-order relativistic corrections for ground and excited states of helium isotopomers. In the calculations they used variational wave functions expanded in terms of explicitly correlated Gaussians obtained without assuming the Born-Oppenheimer approximation.",

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

note = "Funding Information: This work has been supported by the National Science Foundation. The authors would like to thank Professor Jacek Karwowski and Professor Lutoslaw Wolniewicz for many valuable discussions and suggestions concerning this work. Thanks are also due to Professor Jacek Komasa and Professor Krzysztof Pachucki for their valuable suggestions concerning evaluating some of the relativistic integrals.",

year = "2007",

doi = "10.1063/1.2735305",

language = "English (US)",

volume = "126",

journal = "Journal of Chemical Physics",

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publisher = "American Institute of Physics",

number = "19",

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T1 - Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of He3 and He4

AU - Stanke, Monika

AU - Kȩdziera, Dariusz

AU - Bubin, Sergiy

AU - Adamowicz, Ludwik

N1 - Funding Information: This work has been supported by the National Science Foundation. The authors would like to thank Professor Jacek Karwowski and Professor Lutoslaw Wolniewicz for many valuable discussions and suggestions concerning this work. Thanks are also due to Professor Jacek Komasa and Professor Krzysztof Pachucki for their valuable suggestions concerning evaluating some of the relativistic integrals.

PY - 2007

Y1 - 2007

N2 - In this work the authors present an approach to calculate the leading-order relativistic corrections for ground and excited states of helium isotopomers. In the calculations they used variational wave functions expanded in terms of explicitly correlated Gaussians obtained without assuming the Born-Oppenheimer approximation.

AB - In this work the authors present an approach to calculate the leading-order relativistic corrections for ground and excited states of helium isotopomers. In the calculations they used variational wave functions expanded in terms of explicitly correlated Gaussians obtained without assuming the Born-Oppenheimer approximation.

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U2 - 10.1063/1.2735305

DO - 10.1063/1.2735305

M3 - Article

AN - SCOPUS:34249094852

SN - 0021-9606

VL - 126

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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M1 - 194312

ER -

Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of He3 and He4

Abstract

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