CIVILICA We Respect the Science
(ناشر تخصصی کنفرانسهای کشور / شماره مجوز انتشارات از وزارت فرهنگ و ارشاد اسلامی: ۸۹۷۱)

Ab initio potential energy curves and transition dipole moments for the low-lying singlet states of SiH+

عنوان مقاله: Ab initio potential energy curves and transition dipole moments for the low-lying singlet states of SiH+
شناسه ملی مقاله: ISPTC18_128
منتشر شده در هجدهمین همایش شیمی فیزیک ایران در سال 1394
مشخصات نویسندگان مقاله:

Zeinab Biglari - Department of Chemistry, Faculty of Science, Lorestan University, Khorram Abad, Lorestan, Iran
Shokouh Ershadifar - Department of Chemistry, Faculty of Science, Lorestan University, Khorram Abad, Lorestan, Iran
Alireza Shayesteh

خلاصه مقاله:
The SiH+ ion was observed in the laboratory for the first time by Douglas and Lutz in 1970and it was detected in a solar photospheric spectrum in the same year from the emission ofthe SiH+ A1Π - X1Σ+ transition. Because of its astrophysical importance, it has been thesubject of several experimental, theoretical and astronomical investigations [1-4]. We reportab initio calculations on five singlet states of SiH+ using the multi-reference configurationinteraction (MRCI) method with large active space and basis sets. We have computedpotential energy curves, dipole moments and transition dipole moments for the X1Σ+, 11Π,11Δ, 21Σ+ and 21Π states of SiH+.

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/552587/