刘文剑,1966年生。北京大学化学学院长江学者特聘教授。聘任岗位:理论化学。研究方向:量子化学,相对论量子化学。博士生导师。
获得奖项:著作及论文:
W.Liu,G.Hong,D.Dai,L.Li,andM.Dolg,TheBeijing4-componentdensityfunctionalprogrampackage(BDF)anditsapplicationtoEuO,EuS,YbO,andYbS,Theor.Chem.Acc.97,75(1997). W.Liu,M.Dolg,andP.Fulde,Low-lyingelectronicstatesoflanthanocenesandactinocenes:M(C8H8)2(M=Nd,Tb,Yb,U),J.Chem.Phys.107,3584(1997). W.LiuandM.Dolg,Benchmarkcalculationsonlanthanideatoms:calibrationofabinitioanddensityfunctionalmethods,Phys.Rev.A57,1721(1998). W.Liu,M.Dolg,andL.Li,FullyrelativisticdensityfunctionalcalculationsonthegroundandexcitedstatesofYb,YbH,YbF,andYbO,J.Chem.Phys.108,2886(1998). W.LiuandCh.vanWlen,SpectroscopicconstantsofEka-goldcompounds:theimportanceofspin-orbitcoupling,J.Chem.Phys.110,3730(1999). W.KutzelniggandW.Liu,RelativisticMCSCFbymeansofquasi-degeneratedirectperturbationtheory.I.Theory,J.Chem.Phys.112,3540(2000). W.Liu,Ch.vanWlen,Y.-K.Han,Y.-J.Choi,andY.-S.Lee,SpectroscopicconstantsofPbandEka-leadcompounds:comparisonofdifferentapproaches,Adv.QuantumChem.39,325(2001). W.Liu,Ch.vanWlen,F.Wang,andL.Li,SpectroscopicconstantsofMHandM2(M=Tl,E113,Bi,E115):directcomparisonoffour-andtwo-componentapproachesintheframeworkofrelativisticdensityfunctionaltheory,J.Chem.Phys.116,3626(2002).
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