Nonorthogonal ultralocalized functions and fitted Wannier functions for local electron correlation methods for solids

Theoretical Chemistry Accounts

Volumn 114, Issue 4-5, 2005, Pages 276-282

  Usvyat, Denis ^a   Schütz, Martin ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

Local correlation methods; Nonorthogonal localized functions; Symmetry in crystals; Wanniee functions

Indexed keywords

EID: 26444513697     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0685-5     Document Type: Article

References (35)

1. Anderson PW (1968) Phys Rev Lett 21:13
2. Calzolari A, Marzari N, Souza I, Nardelli MB (2004) Phys Rev B 69:035108
3. Casassa S, Zicovich-Wilson CM, Pisani C (2005) Theor Chem Acc (to be published)
4. Clow SD, Johnson BR (2003) Phys Rev B 68:235107
5. CRYSTAL basis set database http://www.crystal.unito.it/basis.html
6. Dovesi R, Saunders VR, Roetti C, Causa M, Harrison NM, Orlando R, Apra E (2003) CRYSTAL 2003 User's Manual. Torino University, Torino
7. Evarestov RA, Smirnov VP (1997) Site symmetry in crystals: theory and applications. Springer series in solid state sciences, Vol 108. Springer, Berlin Heidelberg New York
8. Evarestov RA, Usvyat DE, Smirnov VP (2003) Phys Solid State 45:2072
9. Evarestov RA, Smirnov VP, Usvyat DE (2003) Solid State Commun 127:423
10. Feng H, Bian J, Li L, Yang W (2004) J Chem Phys 120:9458
11. Goedecker S (1999) Rev Mod Phys 71:1085
12. He L, Vanderbilt D (2001) Phys Rev Lett 86:5341
13. King-Smith RD, Vanderbilt D (1993) Phys Rev B 47:1651
14. Kohn W (1959) Phys Rev 115:809
15. Lui S, Perez-Jorda JM, Yang W (2000) J Chem Phys 112:1634
16. Marzari N, Vanderbilt D (1097) Phys Rev B 56:12847
17. Mayer I, Räther G, Suhai S (1998) Chem Phys Lett 293:81
18. Monkhorst HJ, Pack JD (2003) Phys Rev B 13:5188
19. Noel Y, Zicovich-Wilson CM, Civallery B, D'Arco Ph, Dovesi R (2001) Phys Rev B 65:014111
20. Paulus B, Rosciszewski K, Stoll H, Birkenheuer U (2003) Phys Chem Chem Phys 5(24):5523
21. Paulus B (2003) Chem Phys Lett 371:7
22. Pisani C, Busso M, Cappecchi G, Casassa S, Dovesi R, Maschio L, Zicovich-Wilson C, Schütz M (2005) J Chem Phys 122:094113
23. Reboredo FA, Williamson AJ (2005) Phys Rev B 71:121105(R)
24. Sagui C, Pomorski P, Darden TA, Roland C (2004) J Chem Phys 120:4530
25. Schütz M, Hetzer G, Werner H-J (1999) J Chem Phys 111:5691
26. Schütz M, Manby FR (2003) Phys Chem Chem Phys 5:3349
27. Shukla A, Dolg M, Fulde P, Stoll H (1999) Phys Rev B 60:5211
28. Skylaris C-K, Mostofi AA, Haynes PD, Diguez O, Payne MC (2002) Phys Rev B 66:035119
29. Smirnov VP, Usvyat DE (2001) Phys Rev B 64:245108
30. Sporkmann B, Bross H (1994) Phys Rev B 49:10869
31. Wannier G (1937) Phys Rev 52:191
32. Werner H-J, Manby FR, Knowles PJ (2003) J Chem Phys 118:8149
33. Zeiner P, Dirl R, Davies BL (1998) Phys Rev B 58:7681
34. Zicovich-Wilson CM, Dovesi R, Saunders VR (2001) J Chem Phys 115:9708
35. Zicovich-Wilson CM, Bert A, Roetti C, Dovesi R, Saunders VR (2002) J Chem Phys 116:1120