Mg-n,AlMgn-1(n=2~13)团簇结构和电子性质的密度泛函理论研究
王志强, 田付阳, 田凯. Mg-n,AlMgn-1(n=2~13)团簇结构和电子性质的密度泛函理论研究[J]. 原子与分子物理学报, 2008, 25(2): 439.
王志强, 田付阳, 田凯. Density functional theory study of structures and electronic properties of Mg-n and AlMgn-1(n=2~13) clusters[J]. Journal of Atomic and Molecular Physics, 2008, 25(2): 439.
[1] Wang G H.Clusters physics[M].Shanghai:Shanghai Scientific and TechnicalPublishers,2003 (in Chinese)[王广厚.团簇物理学[M].上海:上海科技出版社,2003]
[2] Selby K,Kresin V,Masui J,et al.Photoabsorption spectra of sodium dusters[J].Phys.Rev.B,1991,43:4565
[3] Herlert A,Kruckeberg S,Schweikhard L,et al.First observation of doubly charged negative gold clusters ions[J].Phys.Scr.T,1999,80:200
[4] Ekardt W.Metal dusters[M].New York:Wiley,1999.
[5] Lyalin A G,Semenov S K,Solov'yov A V,et al.Hartree-Fock deformed jellium model for metallic clusters[J].J.Phys.B,2000,33:3653
[6] Kleemann W.Random-field induced antiferromagnetic,ferroelectric and structural domain states[J].Int.J.Mod.Phys.B,1993,507:2469
[7] Meiwes-Broer K-H.Metal dusters at surfaces:structure,quantum properties,Physical chemistry[M].Berlin:Springer,2000.
[8] Solov'yov ILA,Solov'yov A V,Greiner W.Structure and properties of small sodium dusters[J].Phys.Rev.A,2002,65:053203
[9] Kumar V,Car R.Structure,growth and bonding nature of Mg clusters[J].Phys.Rev.B,1991,44:8243
[10] Delaly P,Ballone P,Buttet J.Metallic bonding in magnesium microclusters[J].Phys.Rev.B,1992,45:3838
[11] Lyalin A,Solov'yov Ilia A,Slov'yov A V,et al.Evolution of the electronic and ionic structure of Mg clusters with increase in clusters size[J].Phys.Rev.A,2003,67:063203
[12] Diedirich Th,Doppner T,Fennel Th,et al.Shell structure of magnesium and other divalent metal clusters[J].Phys.Rev.A,2005,72:023203
[13] Gong X G,Zheng Q Q,He Y Z.Electronic structures of magnesium dusters[J].Phys.Lett.A,1993,181:459
[14] Akola J,Rytkenen K,Manninen M.Metallic evolution of small magnesium clusters[J].Eur.Phys.J.D,2001,16:21
[15] Acioli P H,Jellinek J.Theoretical determination of electron binding energy spectra of anionic magnesium clusters[J].Atomic and Molecular Clusters,2003,36:40
[16] Reuse F,Khanna S N,V Coulon de,et al.Pseudopotential local-spin-density studies of neutral and charged Mgn(n≤7) dusters[J].Phys.Rev.B,1990,41:11743
[17] Yao J G,Wang X W,Jing Q,et al.Density fuctional theory study of the stability and electronic properties of lowest energy structures for Al2Ben(N=1~12) clusters[J].J.At.Mol.Phys.,(in Chinese) (accepted)[姚建刚,王献伟,井群,等.Al2Ben(N=1~12)团簇最低能量结构的稳定性和电子特性的密度泛函理论研究[J].原子与分子物理学报,已接受]
[18] Huber K P,Herzberg G.Molecular spectra and.molecular structure.IV.constants of diatomic molecules[M].New York:Van Nostrand Reinhold,1979.
[19] Frisch M J,Trucks G W,Schlegel H B,et al.Gaussian 03,Revision C.02.Wallingford CT:Gaussian,Inc.,2004.
王志强, 田付阳, 田凯. Mg-n,AlMgn-1(n=2~13)团簇结构和电子性质的密度泛函理论研究[J]. 原子与分子物理学报, 2008, 25(2): 439. 王志强, 田付阳, 田凯. Density functional theory study of structures and electronic properties of Mg-n and AlMgn-1(n=2~13) clusters[J]. Journal of Atomic and Molecular Physics, 2008, 25(2): 439.