Transferability of a local pseudopotential based on solid-state electron density

Journal of Physics Condensed Matter

Volumn 8, Issue 3, 1996, Pages 287-302

  Nogueira, Fernando ^a   Fiolhais, Carlos ^a   He, Jingsong ^b   Perdew, John P ^b   Rubio, Angel ^c  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b Tulane University   (United States)

^c UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001750136     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/8/3/008     Document Type: Article

References (46)

1. Harrison W A 1966 Pseudopotentials in the Theory of Metals (New York: Benjamin)
2. Cohen M L 1994 Solid State Commun. 92 45
3. Pickett W E 1989 Comput. Phys. Rep. 9 117
4. Payne M C, Teter M P, Allan D C, Arias T A and Joannopolous J D 1992 Rev. Mod. Phys. 64 1045
5. Dreizler R M and Gross E K U 1990 Density Functional Theory (Berlin: Springer)
6. Bylander D M, Gu Y M and Kleinman L 1995 Phys. Rev. B 51 2566
7. Fiolhais C, Perdew J P, Armster S Q, MacLaren J M and Brajczewska M 1995 Phys. Rev. B 51 14 001 The pseudopotential parameters and calculated properties are very slightly in error due to inadvertent use of the exchange-only local field correction, which omits correlation. In the present work, we have used corrected pseudopotential parameters from an erratum submitted to Phys. Rev. B.
8. Perdew J P, Tran H Q and Smith E D 1990 Phys. Rev. B 42 11 627
9. Wojciechowski K F 1995 Phys. Rev. B 51 2563
10. Rose J H and Shore H B 1994 Phys. Rev. B 49 11 588; 1993 Phys. Rev. B 48 18254
11. Rose J H and Shore H B 1994 Phys. Rev. B 49 11 588; 1993 Phys. Rev. B 48 18254
12. Ashcroft N W 1966 Phys. Lett. 23 48
13. Hasegawa M and Young W H 1981 J. Phys. F: Met. Phys. 11 977
14. Ling D D and Gelatt C D 1980 Phys. Rev. B 22 557
15. Moriarty J A 1977 Phys. Rev. B 16 2537
16. Hamann D R 1989 Phys. Rev. B 40 2980
17. Teter M 1993 Phys. Rev. B 48 5031
18. (a) Rose J H, Ferrante J and Smith J R 1981 Phys. Rev. Lett. 47 675
19. (b) Rose J H, Smith J R, Guinea F and Ferrante J 1984 Phys. Rev. B 29 2963
20. (c) Vinet P, Rose J H, Ferrante J and Smith J R 1989 J. Phys.: Condens. Matter 1 1941
21. Dagens L, Rasolt M and Taylor R 1975 Phys. Rev. B 11 2726
22. Moriarty J A 1979 Phys. Rev. B 19 609
23. Ihm J, Zunger A and Cohen M L 1979 J. Phys. C: Solid State Phys. 12 4409
24. Brovman E G, Kagan Y and Kholas A 1972 Sov. Phys.-JETP 34 344 Bertoni C M, Bortolani V, Calandra C and Nizzoli F 1974 J. Phys. F: Met. Phys. 4 19 Benckert S 1975 Phys. Status Solidi b 69 483
25. Brovman E G, Kagan Y and Kholas A 1972 Sov. Phys.-JETP 34 344 Bertoni C M, Bortolani V, Calandra C and Nizzoli F 1974 J. Phys. F: Met. Phys. 4 19 Benckert S 1975 Phys. Status Solidi b 69 483
26. Brovman E G, Kagan Y and Kholas A 1972 Sov. Phys.-JETP 34 344 Bertoni C M, Bortolani V, Calandra C and Nizzoli F 1974 J. Phys. F: Met. Phys. 4 19 Benckert S 1975 Phys. Status Solidi b 69 483
27. Fiolhais C and Perdew J P 1992 Phys. Rev. B 45 6207
28. Brajczewska M, Fiolhais C and Perdew J P 1993 Int. J. Quantum Chem. S 27 249
29. Ziesche P, Perdew J P and Fiolhais C 1994 Phys. Rev. B 49 7916; 1994 Phys. Rev. B 50 5020
30. Ziesche P, Perdew J P and Fiolhais C 1994 Phys. Rev. B 49 7916; 1994 Phys. Rev. B 50 5020
31. Painter G S and Averill F W 1994 Phys. Rev. B 50 5545
32. Sigalas M, Bacalis N C, Papaconstantopoulos D A, Mehl M J and Switendick AC 1990 Phys. Rev. B 42 11 637
33. Juan Y-M and Kaxiras E 1993 Phys. Rev. B 48 14 944 (Nonlocal pseudopotential results for Mg, where full-potential all-electron results were unavailable.)
34. Dufek P, Blaha P and Schwarz K 1994 Phys. Rev. B 50 7279
35. Perdew J P, Brajczewska M and Fiolhais C 1993 Solid State Commun. 88 795
36. Pastor G M and Bennemann K H 1994 Clusters of Atoms and Molecules ed H Haberland (Berlin: Springer)
37. Yang W 1991 Phys. Rev. A 44 7823
38. Perdew J and Zunger A 1981 Phys. Rev. B 23 5048
39. Liberman D A, Cromer D T and Waber J T 1971 Comput. Phys. Commun. 2 107, 471; 1975 Comput. Phys. Commun. 9 129
40. Liberman D A, Cromer D T and Waber J T 1971 Comput. Phys. Commun. 2 107, 471; 1975 Comput. Phys. Commun. 9 129
41. Emsley J 1991 The Elements (Oxford: Clarendon)
42. Jones R O and Gunnarsson O 1989 Rev. Mod. Phys. 61 689
43. Shaw R W 1968 Phys. Rev. 174 769
44. Harris J and Jones R O 1978 Phys. Rev. Lett. 41 191
45. Goedecker S and Maschke K 1992 Phys. Rev. A 45 88
46. Starkloff T and Joannopoulos J D 1977 Phys. Rev. B 16 5212