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高激发同核和异核碱金属二聚体的长程势阱计算。

Calculations of long-range potential wells for highly excited homonuclear and heteronuclear alkali dimers.

作者信息

Normand Bradford, Stwalley William C

机构信息

Department of Physics, Unit 3046, University of Connecticut, Storrs, Connecticut 06269-3046, USA.

出版信息

J Chem Phys. 2004 Jul 1;121(1):285-91. doi: 10.1063/1.1747794.

DOI:10.1063/1.1747794
PMID:15260547
Abstract

The weakly bound long-range potential curves between a highly excited alkali atom M(*)(n(e)s) and a ground state alkali atom M(n(g)s) are calculated using simple but reasonably accurate models for long-range dispersion and exchange interactions for all homonuclear and heteronuclear combinations. For K(2), where experimental results are available, the agreement is quite good (binding energies of observed vibrational levels within approximately 10%). We find that at least a zero-point vibrational level occurs for n(e)-n(g)</=12.

摘要

利用简单但相当精确的长程色散和交换相互作用模型,计算了高激发碱金属原子M(*)(n(e)s)与基态碱金属原子M(n(g)s)之间的弱束缚长程势曲线,适用于所有同核和异核组合。对于有实验结果的K(2),吻合度相当好(观测到的振动能级的结合能在约10%以内)。我们发现,当n(e)-n(g)≤12时,至少会出现一个零点振动能级。

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