团簇的几何和电子结构的第一性原理研究

nnachiJ.Phys.Chem.A104,1656,(2000)[12]materialschemistryandphysics69(2001)186—191[13]ActaPhys.一Chem.Sin.,2004,20(3):290—295[14]KandalamAK,PandeyR,A,CostalesA,RecioJMandNewsamJMJ.Phys.Chem.B104,4361,(2000)[15]KandalamAK,AandPandeyRJ.Phys.Chem.B105,6080,(2000)[16]AandPandeyRJ.Phys.Chem.B106,1945,(2002)[17]WuHS,ZhangCJ,XuXn,ZhengCSandZhangQEScienceInChinaSeriesB—Chemistry43,634,(2000)[18]WuHS,ZhangFQ,XuXH,ZhangCJandJiaoHJJ.Phys.Chem.A07,204,(2003)[19]BooBHandLiuZJ.Phys.Chem.A103,1250,(1999)4浙江大学硕士学位论文[20]SongBandCaoPLPhys.Rev.B66,033406,(2002)[21]NayakSK,KhannaSNandJenaPPhys.Rev.B57,3787,(1998)[22]SunWandGongXKumarVandKawazoeYEur.Phys.J.D.18,77,(2002)[23]LINGGUO,HAI—SHUNHAIInternationalJuornalofQuantumChemistry,Vol106,1250—1257(2006)[243BaolinWang,JijunZhao,DaningShiPhys.Rev.A72,023204(2005)5