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On the emergence of molecular structure

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

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(-).

Details

Database :
OAIster
Journal :
Matyus, E; Hutter, J; Mueller-Herold, U; Reiher, M (2011). On the emergence of molecular structure. Physical Review A, 83(5):082512.
Notes :
application/pdf, info:doi/10.5167/uzh-48896, English
Publication Type :
Electronic Resource
Accession number :
edsoai.ocn755090004
Document Type :
Electronic Resource