Symmetry-adapted localized wannier functions suitable for periodic local correlation methods

Theoretical Chemistry Accounts

Volumn 116, Issue 4-5, 2006, Pages 726-733

  Casassa, Silvia ^a   Zicovich Wilson, Claudio M ^b   Pisani, Cesare ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33747824373     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0119-z     Document Type: Article

References (21)

1. Wannier GH (1937) Phys Rev 52:191
2. Pisani C, Busso M, Capecchi G, Casassa S, Dovesi R, Maschio L, Zicovich- Wilson CM, Schütz M (2005) J Chem Phys 122:094113
3. Saebø S, Pulay P (1987) J Chem Phys 86:914
4. Pulay P, Saebø S (1986) Theor Chim Acta 69:357
5. Pulay P (1983) Chem Phys Lett 100:151
6. Werner H-J, Knowles PJ, Lindh R, Schütz M et al. MOLPRO, a package of ab initio programs. (info at http://www.molpro.net)
7. Saunders VR, Dovesi R, Roetti C, Orlando R, Zicovich-Wilson CM, Harrison NM, Doll K, Civalleri B, Bush U, Ph. D'Arco, Llunell M (2003) CRYSTAL03 User's Manual, Universitá di Torino, Torino
8. Zicovich-Wilson CM, Dovesi R, Saunders VR (2001) J Chem Phys 115:9708
9. Dovesi R (1986) Int J Quantum Chem 29:1755
10. Smirnov VP. Evarestov RA, Usvyat DE (2002) Int J Quantum Chem 88:642
11. Cloizeaux JD (1964) Phys Rev A 135:685
12. Cloizeaux JD (1964) Phys Rev A 135:698
13. Kohn K (1959) Phys Rev 115:809
14. Edminston C, Ruedenberg K (1963) Rev Mod Phys 35:457
15. Pipek J, Mezey PG (1989) J Chem Phys 90:4916
16. Boys SF (1966) In: Löwdin P-O (ed) Quantum theory of atoms, molecules and the solid state. A tribute to John C. Slater. Academic, New York, p 253
17. Zicovich-Wilson CM, Bert A, Roetti C, Dovesi R, Saunders VR (2002) J Chem Phys 116:1120
18. Fernández-Catá G, Álvarez LJ, Dovesi R, Zicovich-Wilson CM (2004) J Phys Chem B 108:7316
19. Bert A, Llunell M, Dovesi R, Zicovich-Wilson CM (2003) PCCP 5:5319
20. Zicovich-Wilson CM, Dovesi R (1998) Int J Quantum Chem 67:299
21. Prencipe M, Zupan A, Dovesi R, Aprà E, Saunders VR (1995) Phys Rev B 51:3391