新一代相对论量子化学方法

New Generation Relativistic Quantum ChemicalMethods

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作者刘文剑

机构地区北京大学化学与分子工程学院

出处《中国基础科学》 2007年第2期10-11,共2页 China Basic Science

关键词相对论原子场论分子量子化学方法重元素

参考文献7

1[1]Liu Wenjian,Peng Daoling.Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory.J.Chem.Phys.,2006,125,044102
2[2]Gao Jun,Zou Wenli,Liu Wenjian,Xiao Yunlong,Peng Daoling,Song Bo,Liu Chengbu.Time-dependent four-component relativistic density functional theory for excitation energies.ii.the exchange-correlation kernel.J.Chem.Phys.,2005,123,054102
3[3]Peng Daoling,Zou Wenli,Liu Wenjian.Time-dependent quasirelativistic density functional theory based on the zeroth-order regular approximation.J.Chem.Phys.,2005,123,144101
4[4]Gao Jun,Liu Wenjian,Song Bo,Liu Chengbu.Time-dependent four-component relativistic density functional theory for excitation energies.J.Chem.Phys.,2004,121,6658-6666
5[5]Liu Wenjian,Kutzelnigg W.Quasi-relativistic theory.II theory at matrix level.J.Chem.Phys.(in press)
6[6]Kutzelnigg W,Liu Wenjian.Quasirelativistic theory equivalent to fully relativistic theory.J.Chem.Phys.,2005,123,241102
7[7]Liu Wenjian,Wang Fan,Li Lemin.The Beijing Density Functional (BDF) program package:methodologies and applications.J.Theor.Comput.Chem.,2003,2,257,and references therein

中国基础科学

2007年第2期

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