Effective bond orders from spin-orbit configuration interaction approaches

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：sddmymj

【摘要】

：

The geometries and physico-chemical properties of systems containing heavy atoms,as for instance 6p ones,can be strongly affected by relativistic effects,among which one may distinguish between spin-i

【作者】

：

R.Maurice F.Réal A.S.P.Gomes V.Vallet G.Montavon N.Galland

【机构】

：

SUBATECH,IN2P3/EMN Nantes/Université de Nantes,Nantes,France

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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Effective bond orders from spin-orbit configuration interaction approaches

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