2019
DOI: 10.1139/cjp-2017-0458
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Electronic structure with dipole moment and rovibrational calculations of the MgLi and MgNa molecules

Abstract: We investigate an orderly study of the adiabatic potential energy curves for 29 and 30 low-lying 2s+1Λ+/− electronic states of the molecules MgLi and MgNa, respectively. The calculation has been done by using the complete active space self-consistent field followed by multi-reference configuration interaction with Davidson correction. For the investigated electronic states, the static and transition dipole moment curves are calculated along with the Einstein coefficients, the emission oscillator strength, the … Show more

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Cited by 4 publications
(1 citation statement)
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“…With regard to diatomic lithium-containing species, in the last 30 years, investigations have been carried out to determine the molecular structures and spectroscopic properties of Li 2 [52][53][54], LiBe [55][56][57], LiB [58][59][60][61][62], LiC [63][64][65][66], LiN [67,68], LiO [69,70], LiF [71], LiNa [52,53,[72][73][74], LiMg [75][76][77][78][79], LiAl [80][81][82][83], LiSi [65], LiP [68,[84][85][86], LiS [87][88][89][90], LiCl [91,92], LiGa [93], LiGe [65], LiAs [94], LiSn [65], LiSb …”
Section: Introductionmentioning
confidence: 99%
“…With regard to diatomic lithium-containing species, in the last 30 years, investigations have been carried out to determine the molecular structures and spectroscopic properties of Li 2 [52][53][54], LiBe [55][56][57], LiB [58][59][60][61][62], LiC [63][64][65][66], LiN [67,68], LiO [69,70], LiF [71], LiNa [52,53,[72][73][74], LiMg [75][76][77][78][79], LiAl [80][81][82][83], LiSi [65], LiP [68,[84][85][86], LiS [87][88][89][90], LiCl [91,92], LiGa [93], LiGe [65], LiAs [94], LiSn [65], LiSb …”
Section: Introductionmentioning
confidence: 99%