Spin polarization effect for Tc2 molecule

Chinese Physics

Volumn 13, Issue 12, 2004, Pages 2053-2057

  Yan, Shi Ying ^a,b   Zhu, Zheng He ^a  

^a SICHUAN UNIVERSITY   (China)

^b QINGDAO UNIVERSITY   (China)

Author keywords

Density functional theory; Potential function; Spin polarization; Tc2

Indexed keywords

DATA REDUCTION; DISSOCIATION; GROUND STATE; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS;

ELECTRONIC CONFIGURATION; POTENTIAL FUNCTIONS; SPIN POLARIZATION; TC2;

TECHNETIUM COMPOUNDS;

EID: 23244448801     PISSN: 10091963     EISSN: None     Source Type: Journal    
DOI: 10.1088/1009-1963/13/12/013     Document Type: Article

References (16)

1. Cotton F A and Walton R A 1982 Multiple Bonds Between Metal Atoms (New York: Wiley)
2. Cotton F A and Shive L W 1975 Inorg. Chem. 14 2032
3. Cotton F A and Gage L D 1977 Nouv. J. Chem. 1 441
4. Cotton F A, Fanwick P E and Gage L D 1980 J. Am. Chem. Soc. 102 1570
5. Miedema A R and Gingerich K A 1979 J. Phys. B 12 2081
6. Miedema A R 1980 Faraday Symp. Chem. Soc. 14 136
7. Van S Y, Zhu Z H and Wang H Y 2004 J. Sichuan Uni-versity (Natural Science Edition) 41 574 (in Chinese)
8. Yan S Y and Zhu Z H 2004 Chin. J. Chem. Phys. 17 249 (in Chinese)
9. Meng D Q, Zhu Z H and Jiang G 2002 J. Molec. Struct. 610 241
10. Wang H Y, Zhu Z H, Meng D Q and Wang X L 2003 Chin. Phys. 12 154
11. Wang F H, Zhu Z H, Yang C L and Jing F Q 1998 Chin. Phys. Lett. 15 715
12. Zhu Z H 1996 Atomic and Molecular Reaction Statics (Beijing: Science Press)
13. Zhu Z H and Yu H G 1997 Molecular Structure and Molecular Potential Energy Function (Beijing: Science Press)
14. Murrell J N, Carter S, Farantos S C, Huxley P and Varandas A J C 1984 Molecular Potential Energy Function (New York: Wiley)
15. Dunham J L 1932 Phys. Rev. 41 721
16. Mills I M 1974 Theoretical Chemistry (London: The Chemical Society) p110