Theoretical study of spin-orbit coupling constants for O2+ (A 2Π3/2,1/2u, v+=0–17 and a 4Π5/2,3/2,1/2,−1/2u, v+=0–25)
نویسندگان
چکیده
منابع مشابه
Spin-orbit coupling in O2„ ...+O2 collisions: I. Electronic structure
The importance of vibrational-to-electronic V-E energy transfer mediated by spin-orbit coupling in the collisional removal of O2 X 3 g − , 26 by O2 has been reported in a recent communication F. Dayou, J. Campos-Martínez, M. I. Hernández, and R. Hernández-Lamoneda, J. Chem. Phys. 120, 10355 2004 . The present work provides details on the electronic properties of the dimer O2 2 relevant to the s...
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Theoretical study of spin-orbit coupling constants for O+2 (A 2Π3/2,1/2u, v+=0–17 and a 4Π5/ 2,3/2,1/2,−1/2u, v+=0–25)
The spin-orbit coupling constants (Av+) for O+2(A 2Πu,v+=0–17) and O+2(a 4Πu,v+=0–25) were computed based on the Pauli–Breit Hamiltonian with one and two electron terms for comparison with experimental measurements. In the present theoretical study, the vibrational wave functions are obtained using the potential energy curve calculated at the multireference configuration interaction (MRCI) leve...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2001
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1402170