Electronic states of C20 isomers

Chinese Physics

Volumn 14, Issue 8, 2005, Pages 1622-1625

  Wang, Zhi Gang ^a   Zhang, Cun Hua ^a   Fan, Xian Hong ^a   Pan, Shou Fu ^a   Yan, Bing ^a   Jin, Ming Xing ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Ab initio calculations; C20 isomers; Electronic states

Indexed keywords

ELECTRONIC STRUCTURE; ELECTROSTATICS; FUNCTIONS; GEOMETRY; GROUND STATE; ISOMERS; OPTIMIZATION; PERTURBATION TECHNIQUES;

AB INITIO CALCULATIONS; C20 ISOMERS; ELECTRONIC STATES; WAVEFUNCTIONS;

CARBON;

EID: 23744482290     PISSN: 10091963     EISSN: None     Source Type: Journal    
DOI: 10.1088/1009-1963/14/8/028     Document Type: Article

References (21)

1. Prinzbach H et al 2000 Nature 407 60
2. Taylor P R et al 1995 Chem. Phys. Lett. 235 558
3. Sokolova S, Luchow A and Anderson J B 2000 Chem. Phys. Lett. 323 229
4. Bylaska E et al 1996 J. Phys. Chem. 100 6966
5. Grossman J C, Mitas L and Raghavachari K 1995 Phys. Rev. Lett. 75 3870
6. Grimme S and Muck-Lichtenfeld C 2002 Chem. Phys. Phys. Chem 2 207
7. Wang Z Q, Day P and Pachter R 1996 Chem. Phys. Lett. 248 121
8. Murphy R B and Friesner R A 1998 Chem. Phys. Lett. 288 403
9. Martin J M L, El-Yazal J and Franqois J P 1996 Chem. Phys. Lett. 248 345
10. Taylor P R et al 1995 Chem. Phys. Lett. 235 558
11. Greene K R and Beran K A 2002 J. Comput. Chem. 23 938
12. Beran K A 2003 J. Comput. Chem. 24 1287
13. Chavez J L, Carrillo M M and Beran K A 2004 J. Comput. Chem. 25 322
14. Møller C and Plesset M S 1934 Phys. Rev. 46 618
15. Raghavachari K et al 1989 Chem. Phys. Lett. 157 479
16. Parasuk V and Almlof J 1991 Chem. Phys. Lett. 184 557
17. Hehre W J, Ditchfield R and Pople J A 1972 J. Chem. Phys. 56 2257
18. Schmidt M W et al 1993 J. Comput. Chem. 14 1347
19. Hypechem 7.0, Hypercube Inc (licensed to Institute of Atomic and Molecular Physics, Jilin University, China)
20. Koopmans T 1933 Physica 1 104
21. Xu G X, Li L M and Wang D M 2001 Quantum Chemistry (Beijing: Science Publishing Company) p787 (in Chinese)