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Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-48896

Matyus, E; Hutter, J; Mueller-Herold, U; Reiher, M (2011). On the emergence of molecular structure. Physical Review A, 83(5):082512.

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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 H-2(+). The particle-density profile indicates a molecular-type behavior for the positronium ion, Ps(-).

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Institute of Physical Chemistry
DDC:540 Chemistry
Language:English
Date:2011
Deposited On:03 Aug 2011 17:31
Last Modified:18 Jan 2014 08:12
Publisher:American Physical Society
ISSN:1050-2947
Publisher DOI:10.1103/PhysRevA.83.052512
Other Identification Number:ISI:000290758100007
Citations:Web of Science®. Times Cited: 12
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