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Hartree–Fock critical nuclear charge in two-electron atoms

Abstract:

Electron correlation effects play a key role in stabilizing two-electron atoms near the critical nuclear charge, representing the smallest charge required to bind two electrons. However, deciphering the importance of these effects relies on fully understanding the uncorrelated Hartree–Fock description. We investigate the properties of the ground state wave function in the small nuclear charge limit using various symmetry-restricted Hartree–Fock formalisms. We identify the nuclear charge where...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1063/5.0043105

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Publisher:
AIP Publishing
Journal:
Journal of Chemical Physics More from this journal
Volume:
154
Issue:
11
Article number:
111103
Publication date:
2021-03-15
Acceptance date:
2021-02-22
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Language:
English
Keywords:
Pubs id:
1240498
Local pid:
pubs:1240498
Deposit date:
2022-02-22

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