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The present work devotes to study the delocalization effect of 5f electrons for the actinide elements Th to Es using the quantum mechanical calculation based on the full symmetry group. Follow the definition of quantum mechanics for delocalization effect, it is founded that the variation of the delocalization energy and atomic volume for elements Th to Es is in the opposite tendency each other. The energy gap of HOMO- LUMO and atomic volume for elements Th to Es is nearly the 1 to 1 mapping, and they are the source and image one another.
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Keywords:
- Dirac /
- actinides /
- delocalization effect /
- energy gap
[1] Wang H Y, Zhu,Gao T, Fu Y B 2000 Molecular Physics 13 875
[2] Meng D Q, Zhu Z H, Jiang G 2002 J. Molec. Struct. 610 241
[3] Meng D Q, Jiang G, Liu X Y, Zhu Z H 2001 Acta Phys. Sin. 50 1268 (in Chinese) [蒙大桥、蒋 刚、刘晓亚、朱正和 2001 物理学报 50 1268]
[4] Gao T, Wang H Y,Yi Y G, Tang M L, Zhu Z H 1999 Acta Phys. Sin. 48 2222 (in Chinese)[高 涛、 王红艳、 易有根、 唐明亮、 朱正和 1999 物理学报 48 2222]
[5] Wang H Y, Gao T, Yi Y G, Tang M L, Zhu Z H 1999 Acta Phys. Sin. 48 2215 (in Chinese)[王红艳、高 涛、易有根、 唐明亮、 朱正和1999 物理学报 48 2215]
[6] Li Q, Zhu Z H, Fu Y B 2002 J. Molec. Struct. 578 177
[7] Qing B, Cheng C, Gao X, Zhang X L, Li J M 2010 Acta Phys. Sin. 59 4547 (in Chinese) [青 波、程 诚、高 翔、张小乐、李家明 2010 物理学报 59 4547]
[8] Chen B, Zhu Z H 2003 Acta Phys. Sin. 52 2145 (in Chinese) [陈 波、 朱正和 2003 物理学报 52 2145]
[9] Yi Y G, Wang R, Li X D, Wang H Y, Zhu Z H 2000 Acta Phys. Sin. 49 1953 (in Chinese) [易有根、 汪 蓉、李向东、王红艳 2000 物理学报 49 1953]
[10] Sheng Y, Jiang G, Zhu Z H 2002 Acta Phys. Sin. 51 0501 (in Chinese) [盛 勇、 蒋 刚、 朱正和 2002 物理学报 51 0501]
[11] Landu L D, Lifshitz F M 1997 Quantum Mechanics, Butterworth
[12] Luding W, Falter C 1996 Symmetries in Physics (Berlin:Springer-Verlag Heidelberg )
[13] Tinkham M 1964 Group Theory and Quantum Mechanics (New York; McGraw-Hill)
[14] Berengut J C, Flambaum V V, Kozlov M G 2006 Physcal Review A 73 012504
[15] Zhu Z H 2007 Atomic and Molecular Reaction Statics (Beijing: Science Press) (in Chinese) [朱正和 2007 原子分子反应静力学(北京:科学出版社)]
[16] Cornwell J F 1994 Group Theory in Physics (London: Academic Press)
[17] Saue T, Jensen H J Aa 1999 J. Chem. Phys. 111 6211
[18] Saue T, Jensen H J Aa 2003 J. Chem. Phys. 118 5
[19] Fleig T, Visscher L 2005 Chem. Phys. 311 113
[20] Charlie H 1976 Introduction to Mathematical Physics,Prentice_Hall,INC.Engleewood Cliffs,New Jersey
[21] L. Silver Brian 1976 Irreducible Tensor Methods (Academic Press, New York)
[22] Hecker Siegfried S 2001 The complex word of plutonium Science, Materials Research Society (MRS) Bulletin, 672-678
[23] Jensen H J A, Saue T, Visscher L, DIRAC08
[24] Saue T, Helgaker T 2002 J. Comput. Chem. 23 814
[25] Young D A 1991 Phase Diagrams of the Elements (University of California Press) 264—267
-
[1] Wang H Y, Zhu,Gao T, Fu Y B 2000 Molecular Physics 13 875
[2] Meng D Q, Zhu Z H, Jiang G 2002 J. Molec. Struct. 610 241
[3] Meng D Q, Jiang G, Liu X Y, Zhu Z H 2001 Acta Phys. Sin. 50 1268 (in Chinese) [蒙大桥、蒋 刚、刘晓亚、朱正和 2001 物理学报 50 1268]
[4] Gao T, Wang H Y,Yi Y G, Tang M L, Zhu Z H 1999 Acta Phys. Sin. 48 2222 (in Chinese)[高 涛、 王红艳、 易有根、 唐明亮、 朱正和 1999 物理学报 48 2222]
[5] Wang H Y, Gao T, Yi Y G, Tang M L, Zhu Z H 1999 Acta Phys. Sin. 48 2215 (in Chinese)[王红艳、高 涛、易有根、 唐明亮、 朱正和1999 物理学报 48 2215]
[6] Li Q, Zhu Z H, Fu Y B 2002 J. Molec. Struct. 578 177
[7] Qing B, Cheng C, Gao X, Zhang X L, Li J M 2010 Acta Phys. Sin. 59 4547 (in Chinese) [青 波、程 诚、高 翔、张小乐、李家明 2010 物理学报 59 4547]
[8] Chen B, Zhu Z H 2003 Acta Phys. Sin. 52 2145 (in Chinese) [陈 波、 朱正和 2003 物理学报 52 2145]
[9] Yi Y G, Wang R, Li X D, Wang H Y, Zhu Z H 2000 Acta Phys. Sin. 49 1953 (in Chinese) [易有根、 汪 蓉、李向东、王红艳 2000 物理学报 49 1953]
[10] Sheng Y, Jiang G, Zhu Z H 2002 Acta Phys. Sin. 51 0501 (in Chinese) [盛 勇、 蒋 刚、 朱正和 2002 物理学报 51 0501]
[11] Landu L D, Lifshitz F M 1997 Quantum Mechanics, Butterworth
[12] Luding W, Falter C 1996 Symmetries in Physics (Berlin:Springer-Verlag Heidelberg )
[13] Tinkham M 1964 Group Theory and Quantum Mechanics (New York; McGraw-Hill)
[14] Berengut J C, Flambaum V V, Kozlov M G 2006 Physcal Review A 73 012504
[15] Zhu Z H 2007 Atomic and Molecular Reaction Statics (Beijing: Science Press) (in Chinese) [朱正和 2007 原子分子反应静力学(北京:科学出版社)]
[16] Cornwell J F 1994 Group Theory in Physics (London: Academic Press)
[17] Saue T, Jensen H J Aa 1999 J. Chem. Phys. 111 6211
[18] Saue T, Jensen H J Aa 2003 J. Chem. Phys. 118 5
[19] Fleig T, Visscher L 2005 Chem. Phys. 311 113
[20] Charlie H 1976 Introduction to Mathematical Physics,Prentice_Hall,INC.Engleewood Cliffs,New Jersey
[21] L. Silver Brian 1976 Irreducible Tensor Methods (Academic Press, New York)
[22] Hecker Siegfried S 2001 The complex word of plutonium Science, Materials Research Society (MRS) Bulletin, 672-678
[23] Jensen H J A, Saue T, Visscher L, DIRAC08
[24] Saue T, Helgaker T 2002 J. Comput. Chem. 23 814
[25] Young D A 1991 Phase Diagrams of the Elements (University of California Press) 264—267
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