A quantum wavepacket study of three-dimensional Ne-H-2(+) scattering
MOLECULAR PHYSICS, cilt.101, sa.12, ss.1901-1909, 2003 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 101 Sayı: 12
- Basım Tarihi: 2003
- Doi Numarası: 10.1080/0026897031000121280
- Dergi Adı: MOLECULAR PHYSICS
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.1901-1909
- Süleyman Demirel Üniversitesi Adresli: Evet
Özet
The state-to-state and state-to-all reaction probabilities have been calculated for three-dimensional reactive and inelastic scattering of Ne + H-2(+)(v = 0, j = 0, 1, 2) at zero total angular momentum. The time-dependent Schrodinger equation is solved by means of Fourier grid and discrete variable representation techniques. The inelastic and reactive scattering probabilities for a broad range of energies are calculated. Although the system has an open reactive channel, the results show that a high fraction of the flux is reflected back due to endoergicity and potential barriers leading to inelastic scattering.