Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies
引用本文:
Clavaguéra-Sarrio C,Vallet V,Maynau D,Marsden CJ.Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies[J].The Journal of chemical physics,2004,121(11):5312-5321.