On the emergence of molecular structure

E. Mat́yus, Jürg Hutter, Ulrich Müller-Herold, Markus Reiher

Research output: Contribution to journalArticle

36 Citations (Scopus)

Abstract

The structure of {a±,a±,b}-type Coulombic systems is characterized by the effective ground-state density of the a-type particles, computed via nonrelativistic quantum mechanics without introduction of the Born-Oppenheimer approximation. A structural transition is observed when varying the relative mass of the a- and b-type particles, e.g., between atomic H- and molecular H2+. The particle-density profile indicates a molecular-type behavior for the positronium ion, Ps-.

Original languageEnglish
Article number052512
JournalPhysical Review A
Volume83
Issue number5
DOIs
Publication statusPublished - May 19 2011

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molecular structure
Born-Oppenheimer approximation
positronium
quantum mechanics
ground state
profiles
ions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Mat́yus, E., Hutter, J., Müller-Herold, U., & Reiher, M. (2011). On the emergence of molecular structure. Physical Review A, 83(5), [052512]. https://doi.org/10.1103/PhysRevA.83.052512

On the emergence of molecular structure. / Mat́yus, E.; Hutter, Jürg; Müller-Herold, Ulrich; Reiher, Markus.

In: Physical Review A, Vol. 83, No. 5, 052512, 19.05.2011.

Research output: Contribution to journalArticle

Mat́yus, E, Hutter, J, Müller-Herold, U & Reiher, M 2011, 'On the emergence of molecular structure', Physical Review A, vol. 83, no. 5, 052512. https://doi.org/10.1103/PhysRevA.83.052512
Mat́yus, E. ; Hutter, Jürg ; Müller-Herold, Ulrich ; Reiher, Markus. / On the emergence of molecular structure. In: Physical Review A. 2011 ; Vol. 83, No. 5.
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