On the emergence of molecular structure

Edit Mátyus, 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 - Atomic, Molecular, and Optical Physics
Volume83
Issue number5
DOIs
Publication statusPublished - May 19 2011

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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