Magnetic orbit-orbit interaction involving electrons and the nucleus orbiting around the center of mass in 1S and 1P Rydberg states of helium. Finite-nuclear-mass calculations with explicitly correlated Gaussian functions.

Monika Stanke; Ludwik Adamowicz

doi:10.1016/j.cplett.2018.09.060

Magnetic orbit-orbit interaction involving electrons and the nucleus orbiting around the center of mass in ¹S and ¹P Rydberg states of helium. Finite-nuclear-mass calculations with explicitly correlated Gaussian functions.

Monika Stanke
, Ludwik Adamowicz

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

Abstract

An finite-nuclear-mass (FNM) approach is employed to describe the magnetic orbit-orbit interaction of the electrons and the nucleus orbiting around the center of mass of the helium atom in ¹S and ¹P Rydberg states. The calculations are performed using explicitly correlated Gaussian functions to expand the states’ wave functions. The non-linear parameters of the Gaussians are optimized using a variational approach employing the analytical energy gradient. An FNM and INM (infinite-nuclear-mass) approaches are used in the optimization and compared.

Original language	English (US)
Pages (from-to)	66-70
Number of pages	5
Journal	Chemical Physics Letters
Volume	712
DOIs	https://doi.org/10.1016/j.cplett.2018.09.060
State	Published - Nov 16 2018

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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Magnetic orbit-orbit interaction involving electrons and the nucleus orbiting around the center of mass in ¹S and ¹P Rydberg states of helium. Finite-nuclear-mass calculations with explicitly correlated Gaussian functions. / Stanke, Monika; Adamowicz, Ludwik.
In: Chemical Physics Letters, Vol. 712, 16.11.2018, p. 66-70.

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

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title = "Magnetic orbit-orbit interaction involving electrons and the nucleus orbiting around the center of mass in 1S and 1P Rydberg states of helium. Finite-nuclear-mass calculations with explicitly correlated Gaussian functions.",

abstract = "An finite-nuclear-mass (FNM) approach is employed to describe the magnetic orbit-orbit interaction of the electrons and the nucleus orbiting around the center of mass of the helium atom in 1S and 1P Rydberg states. The calculations are performed using explicitly correlated Gaussian functions to expand the states{\textquoteright} wave functions. The non-linear parameters of the Gaussians are optimized using a variational approach employing the analytical energy gradient. An FNM and INM (infinite-nuclear-mass) approaches are used in the optimization and compared.",

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note = "Funding Information: This work of M.S has been supported by the Polish National Science Centre , grant DEC-2013/10/E/ST4/00033 . The authors are grateful to the University of Arizona Research Computing for providing computational resources for this work. Publisher Copyright: {\textcopyright} 2018",

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