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Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule

✍ Scribed by 张玲, 张玲; 杨传路, 杨传路; 任廷琦, 任廷琦; 王美山, 王美山; Ling Zhang, Ling Zhang; Chuanlu Yang, Chuanlu Yang; Tingqi Ren, Tingqi Ren; Meishan Wang, Meishan Wang

Book ID
115368114
Publisher
Optics InfoBase
Year
2008
Tongue
English
Weight
275 KB
Volume
6
Category
Article
ISSN
1671-7694

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Ab initio study of four low-lying electronic states of the CCS molecule
✍ Z.-L. Cai; X.-G. Zhang; X.-Y. Wang 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 499 KB

The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the low-lying electronic states X %-, a 'A, A 3n and 1 'II of the CCS molecule have been calculated at the MRSDCI level with a double-zeta plus polarization basis set. Our optimized geometric parameters