Electric properties of the Cu+, Ag+ and Au+ cations in the ground 1S and excited 3D, 1D electronic states

被引：2
|
作者：
Artiukhin, Denis G. [1 ]
Buchachenko, Alexei A. [1 ,2 ]
机构：
[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia
[2] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Moscow District, Russia
来源：
EUROPEAN PHYSICAL JOURNAL D | 2014年 / 68卷 / 12期
基金：
俄罗斯基础研究基金会;
关键词：
CONFIGURATION-INTERACTION CALCULATIONS; CONSISTENT BASIS-SETS; CONVERGENT BASIS-SETS; DIPOLE POLARIZABILITY; ISOELECTRONIC-SEQUENCES; TRANSITION-METALS; ATOMS; ELEMENTS; TRANSFORMATION; QUADRUPOLE;
D O I：
10.1140/epjd/e2014-50619-y
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
The lowest-order electric properties of the coinage metal cations Cu+, Ag+ and Au+ are calculated ab initio. For the ground states, accurate coupled cluster estimations are presented for the static and dynamic dipole and quadrupole polarizabilities. Results of the similar quality are obtained for the static dipole polarizabilities and permanent quadrupole moments of the lowest excited triplet D-3 states, whereas the first excited singlet D-1 states are characterized at the lower level of correlation treatment. Effect of vectorial spin-orbit coupling is assessed using the spin-orbit configuration interaction method.
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页数：6
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