کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5375823 1389339 2009 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s-3p)
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s-3p)
چکیده انگلیسی
Potential energy curves of the states X 2Σ+, B (1)2Σ+ and A (1)2Π of the NaHe molecule have been calculated accurately in a large range of internuclear distances R from SA-CASSCF-MRCI calculations, using molecular orbitals expanded in cc-pV5Z basis sets. Transition dipole moments have also been calculated for the X-B, X-A and A-B transitions, in the same range of R. Their long-range behaviour have been considered.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 355, Issue 1, 7 January 2009, Pages 85-89
نویسندگان
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