University of Connecticut, Storrs, Connecticut 06269, USA.
J Phys Chem A. 2010 Jan 14;114(1):81-6. doi: 10.1021/jp901803f.
Promising pathways for photoassociative formation of ultracold heteronuclear alkali metal dimers in their lowest rovibronic levels (denoted X(0,0)) are examined using high-quality ab initio calculations of potential energy curves currently available. A promising pathway for KRb, involving the resonant coupling of the 2(1)Pi and 1(1)Pi states just below the lowest excited asymptote (K(4s) + Rb(5p(1/2))), is found to occur also for RbCs and less promisingly for KCs also. The resonant coupling of the 3(1)Sigma(+) and 1(1)Pi states, also just below the lowest excited asymptote, is found to be promising for LiNa, LiK, and LiRb and less promising for LiCs and KCs. Direct photoassociation to the 1(1)Pi state near dissociation appears promising in the final dimers NaK, NaRb, and NaCs, although detuning more than 100 cm(-1) below the lowest excited asymptote may be required.
使用目前可用的高质量从头算势能曲线,研究了在其最低振转能级(表示为 X(0,0))中将超冷异核碱金属二聚体光缔合的有前途的途径。对于 KRb,发现涉及 2(1)Pi 和 1(1)Pi 态的共振耦合,其低于最低激发渐近线(K(4s) + Rb(5p(1/2))),对于 RbCs 也是如此,但对于 KCs 则不太有利。也低于最低激发渐近线的 3(1)Sigma(+)和 1(1)Pi 态的共振耦合,对于 LiNa、LiK 和 LiRb 是有前途的,对于 LiCs 和 KCs 则不太有利。在接近解离的 1(1)Pi 态附近直接光缔合似乎在最终的二聚体 NaK、NaRb 和 NaCs 中很有前途,尽管可能需要低于最低激发渐近线 100 cm(-1)以上的失谐。