Effects of self-consistency and plasmon-pole models on GW calculations for closed-shell molecules

Physical Review B - Condensed Matter and Materials Physics

Volumn 90, Issue 11, 2014, Pages

  Lischner, Johannes ^a,b   Sharifzadeh, Sahar ^b   Deslippe, Jack ^b   Neaton, Jeffrey B ^a,b,c   Louie, Steven G ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c Kavli Energy Nanosciences Institute at Berkeley   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84907257159     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.90.115130     Document Type: Article

References (40)

1. J. Lischner, D. Vigil-Fowler, and S. G. Louie, Phys. Rev. Lett. 110, 146801 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.110.146801
2. A. Grüneis, C. Attaccalite, T. Pichler, V. Zabolotnyy, H. Shiozawa, S. L. Molodtsov, D. Inosov, A. Koitzsch, M. Knupfer, J. Schiessling, Phys. Rev. Lett. 100, 037601 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.037601
3. O. E. Dial, R. C. Ashoori, L. N. Pfeiffer, and K. W. West, Phys. Rev. B 85, 081306 (R) (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.081306
4. Z.-L. Cheng, R. Skouta, H. Vasquez, J. R. Widawsky, S. Schneebeli, W. Chen, M. S. Hybertsen, R. Breslow, and L. Venkataraman, Nature Nanotechnology 6, 353 (2011). 1748-3387 10.1038/nnano.2011.66
5. M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 81, 2312 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.81.2312
6. L. Hedin and S. Lundqvist, in Solid State Physics, Advances in Research and Application, edited by F. Seitz, D. Turnbell, and H. Ehrenreich (Academic, New York, 1969), Vol. 23, p. 1.
7. M. S. Hybertsen and S. G. Louie, Phys. Rev. B 34, 5390 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.34.5390
8. R. W. Godby and R. J. Needs, Phys. Rev. Lett. 62, 1169 (1989). PRLTAO 0031-9007 10.1103/PhysRevLett.62.1169
9. W. von der Linden and P. Horsch, Phys. Rev. B 37, 8351 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.37.8351
10. P. H. Hahn, W. G. Schmidt, and F. Bechstedt, Phys. Rev. B 72, 245425 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.72.245425
11. J. Lischner, J. Deslippe, M. Jain, and S. G. Louie, Phys. Rev. Lett. 109, 036406 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.109.036406
12. S. Sharifzadeh, I. Tamblyn, P. Doak, P. T. Darancet, and J. B. Neaton, Eur. Phys. J. B 85, 323 (2012). EPJBFY 1434-6028 10.1140/epjb/e2012-30206-0
13. J. C. Grossman, M. Rohlfing, L. Mitas, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. 86, 472 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.86.472
14. J. B. Neaton, M. S. Hybertsen, and S. G. Louie, Phys. Rev. Lett. 97, 216405 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.216405
15. X. Blase, C. Attaccalite, and V. Olevano, Phys. Rev. B 83, 115103 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.115103
16. D. Foerster, P. Koval, and D. Sanchez-Portal, J. Chem. Phys. 135, 074105 (2011). JCPSA6 0021-9606 10.1063/1.3624731
17. K. S. Thygesen and A. Rubio, Phys. Rev. Lett. 102, 046802 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.046802
18. F. Hüser, T. Olsen, and K. S. Thygesen, Phys. Rev. B 87, 235132 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.235132
19. T. Körzdörfer and N. Marom, Phys. Rev. B 86, 041110 (R) (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.041110
20. C. Rostgaard, K. W. Jacobsen, and K. S. Thygesen, Phys. Rev. B 81, 085103 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.085103
21. E. L. Shirley and R. M. Martin, Phys. Rev. B 47, 15404 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.47.15404
22. F. Caruso, P. Rinke, X. Ren, M. Scheffler, and A. Rubio, Phys. Rev. B 86, 081102 (R) (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.081102
23. A. Stan, N. E. Dahlen, and R. van Leeuwen, J. Chem. Phys. 130, 114105 (2009). JCPSA6 0021-9606 10.1063/1.3089567
24. L. S. Cederbaum, W. Domcke, J. Schirmer, and W. von Niessen, Phys. Scr. 21, 481 (1980). PHSTBO 0031-8949 10.1088/0031-8949/21/3-4/040
25. B. Holm and U. von Barth, Phys. Scr. T 109, 135 (2004). PHSTBO 0031-8949 10.1238/Physica.Topical.109a00135
26. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, J. Phys. Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
27. M. L. Tiago and J. R. Chelikowsky, Phys. Rev. B 73, 205334 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.205334
28. J. Deslippe, G. Samsonidze, D. A. Strubbe, M. Jain, M. L. Cohen, and S. G. Louie, Comput. Phys. Commun. 183, 1269 (2012). CPHCBZ 0010-4655 10.1016/j.cpc.2011.12.006
29. J. Deslippe, G. Samsonidze, M. Jain, M. L. Cohen, and S. G. Louie, Phys. Rev. B 87, 165124 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.165124
30. S. Ismail-Beigi, Phys. Rev. B 73, 233103 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.233103
31. R. C. Weast and M. J. Astle, CRC Handbook of Chemistry and Physics, edited by W. M. Haynes, 92nd ed. (CRC, Boca Raton, Florida, 2011).
32. L. Hedin, J. Phys.: Condens. Matter 11, 489 (1999). JCOMEL 0953-8984 10.1088/0953-8984/11/42/201
33. F. Liu, L. Lin, D. Vigil-Fowler, J. Lischner, A. F. Kemper, S. Sharifzadeh, F. H. da Jornada, J. Deslipee, C. Yang, J. B. Neaton, arXiv:1402.5433.
34. G. Verhaegen and W. G. Richards, J. Chem. Phys. 45, 1828 (1966). JCPSA6 0021-9606 10.1063/1.1727840
35. S. Grimme and M. Waletzke, J. Chem. Phys. 111, 5645 (1999). JCPSA6 0021-9606 10.1063/1.479866
36. C. R. Bowman and W. D. Miller, J. Chem. Phys. 42, 681 (1965). JCPSA6 0021-9606 10.1063/1.1695990
37. G. Moe and A. B. F. Duncan, J. Am. Chem. 74, 3140 (1952). JACSAT 0002-7863 10.1021/ja01132a054
38. H. Sun and G. L. Weissler, J. Chem. Phys. 23, 1160 (1955). JCPSA6 0021-9606 10.1063/1.1742205
39. M. Guzzo, G. Lani, F. Sottile, P. Romaniello, M. Gatti, J. J. Kas, J. J. Rehr, M. G. Silly, F. Sirotti, and L. Reining, Phys. Rev. Lett. 107, 166401 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.166401
40. A. Bostwick, F. Speck, T. Seyller, K. Horn, M. Polini, R. Asgari, A. H. MacDonald, and E. Rotenberg, Science 328, 999 (2010). SCIEAS 0036-8075 10.1126/science.1186489