Lowest ten 1P Rydberg states of beryllium calculated with all-electron explicitly correlated Gaussian functions

Monika Stanke; Sergiy Bubin; Ludwik Adamowicz

doi:10.1088/1361-6455/ab2510

Lowest ten ¹P Rydberg states of beryllium calculated with all-electron explicitly correlated Gaussian functions

Monika Stanke, Sergiy Bubin, Ludwik Adamowicz

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

8 Scopus citations

Abstract

In this work we report very accurate calculations of the ten lowest ¹ P (L = 1) bound states of the beryllium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and quantum-electrodynamics (QED) corrections. The latter include the Araki-Sucher QED correction whose implementation for the L = 1 states is featured in this work. The calculated energies for interstate transition energies are compared with the experimental results.

Original language	English (US)
Article number	155002
Journal	Journal of Physics B: Atomic, Molecular and Optical Physics
Volume	52
Issue number	15
DOIs	https://doi.org/10.1088/1361-6455/ab2510
State	Published - Jul 16 2019

Keywords

Rydberg spectrum of beryllium atom
explicitly correlated all-electron Gaussian functions
finite-nuclear-mass approach

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics

Access to Document

10.1088/1361-6455/ab2510

Cite this

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title = "Lowest ten 1P Rydberg states of beryllium calculated with all-electron explicitly correlated Gaussian functions",

abstract = "In this work we report very accurate calculations of the ten lowest 1 P (L = 1) bound states of the beryllium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and quantum-electrodynamics (QED) corrections. The latter include the Araki-Sucher QED correction whose implementation for the L = 1 states is featured in this work. The calculated energies for interstate transition energies are compared with the experimental results.",

keywords = "Rydberg spectrum of beryllium atom, explicitly correlated all-electron Gaussian functions, finite-nuclear-mass approach",

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

note = "Funding Information: This work of MS has been supported by the Polish National Science Centre, grant DEC-2013/10/E/ST4/00033. SB acknowledges funding from MES RK state-targeted program BR05236454 and NU faculty development grant 090118FD5345. The authors are grateful to Professor Gordon W F Drake (University of Windsor) for useful discussions. The authors are also grateful to the University of Arizona Research Computing and Nazarbayev University Library and IT Services for providing computational resources for this work. Publisher Copyright: {\textcopyright} 2019 IOP Publishing Ltd.",

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T1 - Lowest ten 1P Rydberg states of beryllium calculated with all-electron explicitly correlated Gaussian functions

AU - Stanke, Monika

AU - Bubin, Sergiy

AU - Adamowicz, Ludwik

N1 - Funding Information: This work of MS has been supported by the Polish National Science Centre, grant DEC-2013/10/E/ST4/00033. SB acknowledges funding from MES RK state-targeted program BR05236454 and NU faculty development grant 090118FD5345. The authors are grateful to Professor Gordon W F Drake (University of Windsor) for useful discussions. The authors are also grateful to the University of Arizona Research Computing and Nazarbayev University Library and IT Services for providing computational resources for this work. Publisher Copyright: © 2019 IOP Publishing Ltd.

PY - 2019/7/16

Y1 - 2019/7/16

N2 - In this work we report very accurate calculations of the ten lowest 1 P (L = 1) bound states of the beryllium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and quantum-electrodynamics (QED) corrections. The latter include the Araki-Sucher QED correction whose implementation for the L = 1 states is featured in this work. The calculated energies for interstate transition energies are compared with the experimental results.

AB - In this work we report very accurate calculations of the ten lowest 1 P (L = 1) bound states of the beryllium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and quantum-electrodynamics (QED) corrections. The latter include the Araki-Sucher QED correction whose implementation for the L = 1 states is featured in this work. The calculated energies for interstate transition energies are compared with the experimental results.

KW - Rydberg spectrum of beryllium atom

KW - explicitly correlated all-electron Gaussian functions

KW - finite-nuclear-mass approach

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