Estimates of effective Hubbard model parameters for C20 isomers

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 8, 2008, Pages

  Lin, Fei ^a   Sørensen, Erik S ^b  

^a United States of America   (United States)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 50949133452     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.085435     Document Type: Article

References (24)

1. H. Prinzbach, A. Weller, P. Landenberger, F. Wahl, J. Worth, L. T. Scott, M. Gelmont, D. Olevano, and B. van Issendorff, Nature (London) NATUAS 0028-0836 10.1038/35024037 407, 60 (2000).
2. A. F. Hebard, M. J. Rosseinsky, R. C. Haddon, D. W. Murphy, S. H. Glarum, T. T. M. Palstra, A. P. Ramirez, and A. R. Kortan, Nature (London) NATUAS 0028-0836 10.1038/350600a0 350, 600 (1991).
3. J. C. Grossman, L. Mitas, and K. Raghavachari, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.3870 75, 3870 (1995).
4. R. B. Murphy and R. A. Friesner, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00324-8 288, 403 (1998).
5. K. Raghavachari, D. L. Strout, G. K. Odom, G. E. Scuseria, J. A. Pople, B. G. Johnson, and P. M. W. Gill, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)85650-D 214, 357 (1993).
6. Z. Wang, X. Ke, Z. Zhu, F. Zhu, M. Ruan, H. Chen, R. Huang, and L. Zheng, Phys. Lett. A PYLAAG 0375-9601 10.1016/S0375-9601(00)00847-1 280, 351 (2001).
7. Z. Iqbal, Eur. Phys. J. B 31, 509 (2003). 1434-6028
8. S. Chakravarty, M. P. Gelfand, and S. Kivelson, Science SCIEAS 0036-8075 10.1126/science.254.5034.970 254, 970 (1991).
9. S. Chakravarty and S. Kivelson, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/16/8/008 16, 751 (1991).
10. F. Lin, J. Šmakov, E. S. Sørensen, C. Kallin, and A. J. Berlinsky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.165436 71, 165436 (2005).
11. F. Lin, E. S. Sørensen, C. Kallin, and A. J. Berlinsky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76.033414 76, 033414 (2007).
12. W. A. Harrison, Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond (Dover, New York, 1989).
13. S. Satpathy, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(86) 80255-X 130, 545 (1986).
14. E. Manousakis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.10991 44, 10991 (1991).
15. www.abinit.org
16. www.abinit.org/PAW
17. J. E. Hirsch, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.4403 31, 4403 (1985).
18. S. R. White, D. J. Scalapino, R. L. Sugar, E. Y. Loh, J. E. Gubernatis, and R. T. Scalettar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.506 40, 506 (1989).
19. M. Jarrell and J. E. Gubernatis, Phys. Rep. PRPLCM 0370-1573 10.1016/0370-1573(95)00074-7 269, 133 (1996).
20. O. Gunnarsson and G. Zwicknagl, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.957 69, 957 (1992).
21. S. Chakravarty, S. Khlebnikov, and S. Kivelson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.212 69, 212 (1992).
22. T. A. Gloor and F. Mila, Eur. Phys. J. B EPJBFY 1434-6028 10.1140/epjb/e2004-00092-2 38, 9 (2004).
23. I. F. Herbut, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97. 146401 97, 146401 (2006).
24. R. N. Barnett, P. J. Reynolds, and J. W. A. Lester, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.450647 84, 4992 (1986).