Global ab initio potential energy surfaces for the O2(Σ3g−)+O2(Σ3g−) interaction
نویسندگان
چکیده
منابع مشابه
Global ab initio potential energy surfaces for the O2(3Σg-)+O2(3Σg-) interaction.
Completely ab initio global potential energy surfaces (PESs) for the singlet and triplet spin multiplicities of rigid O(2)((3)Σ(g)(-))+O(2)((3)Σ(g)(-)) are reported for the first time. They have been obtained by combining an accurate restricted coupled cluster theory with singles, doubles, and perturbative triple excitations [RCCSD(T)] quintet potential [Bartolomei et al., J. Chem. Phys. 128, 2...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2010
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3479395