Spin polarization effect of Ni 2 molecule

Chinese Journal of Chemical Physics

Volumn 17, Issue 3, 2004, Pages 249-252

  Yan, Shiying ^a,b   Zhu, Zhenghe ^a  

^a SICHUAN UNIVERSITY   (China)

^b QINGDAO UNIVERSITY   (China)

Author keywords

Density functional theory; Ni 2; Potential function; Spin polarization

Indexed keywords

BOND LENGTHS; SPIN POLARIZATION; WAVE FUNCTIONS;

FREQUENCIES; GROUND STATE; MOLECULAR STRUCTURE; OPTIMIZATION; PARAMETER ESTIMATION; POLARIZATION; PROBABILITY DENSITY FUNCTION;

NICKEL;

EID: 4043069883     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (10)

1. Morse M D. Chem. Rev., 1986, 86: 1049
2. Barden C J, Rienstra-Kiracofe J C, Schaefer III H F. J. Chem. Phys., 2000, 113: 690
3. GAUSSIAN 98, Revision A.9: Frish M J, Trucks G W, et al. Gauesian, Inc., Pittsburgh PA, 1998.
4. Wang Hongyan, Zhu Zhenghe, Fu Yibei, Wang Xiaolin, Sun Ying. Chin. J. Chem. Phys., 2003, 16: 265
5. Zhu Zhenghe. Atomic and Molecular Reaction Statics, Beijing: Science Press, 1996.
6. Morse M D, et al. J. Chem. Phys., 1984, 80: 5400
7. Zhu Zhenghe, Yu Huagen. Molecular Structure and Molecular Potential Energy Function, Beijing: Science Press, 1997.
8. Murrell J N, Carter S, Farantos S C, Huxley P, Varandas A J C. Molecular Potential Energy Function, JohnWiley, Sons Ltd. M, 1984.
9. Pinegar J C, Langenberg J D, Arrington C A, Spain E M, Morse M D. J. Chem. Phys., 1995, 102: 666
10. Wang H, Haouari H, Craig R, Lombardi J R, Lindsay D M. J. Chem. Phys., 1996, 104: 3420