Vol.6, No 1, 2008 pp. 29 - 40
DOI 10.2298/FUPCT0801029G
UDC 539.17
GERADE-UNGERADE SYMMETRY BREAKING IN HD:
STATES CLOSE TO N=2 DISSOCIATION LIMIT
Tasko Grozdanov
Institute of Physics, Pregrevica 118, 11080 Belgrade, Serbia
Abstract. We review the consequences of the gerade-ungerade symmetry
breaking in HD molecule. A particular attention is devoted to electronic
states close to n=2 dissociation limit. The effects of the breakdown of
the Born-Oppenheimer approximation are discussed. For the description of
the molecular dynamics the formulation of the coupled-sates method is given.
The method is applied to calculations of loosely bound states in the outer
well of the II'1g potential. The results are in excellent agreement
with experimental data and calculations based on a semi-empirical potential.
Key words: HD molecule, gerade-ungerade symmetry breaking, coupled
equations.
NARUŠENJE GERADE – UNGERADE SIMETRIJE
U HD: STANJA BLISKA N=2 DISOCIJATIVNOM LIMITU
Dat je pregled posledica narušenja gerade-ungerade simentrije u HD molekulu.
Posebna pažnja je posvećena elektronskim stanjima bliskim n=2 disocijativnom
limitu. Diskutovani su efekti vezani za narušenje Born-Oppenheimer-ove
aproksimacije. Za opisivanje dinamike molekula formulisan je metod spregnutih
stanja. Metod je primenjen za izračunavanje slabo vezanih stanja u spoljašnjoj
jami II'1g potencijala. Rezultati se odlično slažu sa eksperimentom
i izračunavanjima baziranim na semiempirijskompotencijalu.
