Calculation of potential energy curves and quantum defects of the diatomic hydrides of first-row elements

28th International Conference on Photonic, Electronic and Atomic Collisions

Lee, Chun-Woo^1 ; Gim, Yeongrok^1

Department of Chemistry, Ajou University, Woncheon-Dong, Suwon, Yeongtong-Gu

443-749, Korea, Republic of^1

关键词: Multi reference configuration interactions;    Potential energy curves;    Quantum defects;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/488/2/022031/pdf
DOI  :  10.1088/1742-6596/488/2/022031

来源: IOP

【 摘 要 】

Potential energy curves (PECs) of the hydrides of first-row elements are calculated by multi-reference configuration interaction method (MRCI).