Wave-function localization in reciprocal space

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 15, 2002, Pages 1552091-1552096

  Iannuzzi, Marcella ^a,b   Parrinello, Michele ^a,b  

^a Centro Svizzero Di Calcolo Scientifico   (Switzerland)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

METAL COMPLEX;

ARTICLE; CALCULATION; ELECTRONICS; MATHEMATICAL ANALYSIS; MEASUREMENT; QUANTUM MECHANICS; SIMULATION; WAVEFORM;

EID: 0037109946     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (20)

1. G.H. Wannier, Phys. Rev. 52, 191 (1937).
2. E. Blount, in Solid State Physics, edited by F. Seitz and C. Turnbull (Academic, New York, 1962), Vol. 13, p. 305.
3. N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12 847 (1997).
4. PL. Silvestrelli and M. Parrinello, J. Chem. Phys. 111, 3572 (1999); AH. Romero, PL. Silvestrelli, and M. Parrinello, ibid. 115, 115 (2001).
5. PL. Silvestrelli and M. Parrinello, J. Chem. Phys. 111, 3572 (1999); AH. Romero, PL. Silvestrelli, and M. Parrinello, ibid. 115, 115 (2001).
6. S. Goedecker, Rev. Mod. Phys. 71, 1085 (1999).
7. W. Kohn, Phys. Rev. 115, 809 (1959).
8. I. Daubechies, Ten Lectures on Wavelets (SIAM, Philadelphia, 1992).
9. S. Goedecker and O. Ivanov, Phys. Rev. B 59, 7270 (1999).
10. A.M.N. Niklasson, C.J. Tymczak, and H. Röder, Phys. Rev. B (to be published).
11. N.W. Ashcroft and N.D. Mermin, Solid State Physics (Holt Saunders, Tokyo, 1976).
12. S.F. Boys, Rev. Mod. Phys. 32, 296 (1960).
13. R. Resta, Rev. Mod. Phys. 66, 899 (1994); Phys. Rev. Lett. 80, 1800 (1998).
14. R. Resta, Rev. Mod. Phys. 66, 899 (1994); Phys. Rev. Lett. 80, 1800 (1998).
15. G. Berghold, C.J. Mundy, A.H. Romero, J. Hutter, and M. Parrinello, Phys. Rev. B 61, 10 040 (2000).
16. P.L. Silvestrelli, Phys. Rev. B 59, 9703 (1999).
17. J. Hutter et al., CPMD V3.5 Copyright IBM Corp. 1990-2001, Copyright MPI fuer Festkoerperforschung Stuttgart 1997-2001.
18. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
19. S. Goedecker, M. Teter, and J. Hutter, Phys. Rev. B 54, 1703 (1996).
20. G.B. Bachelet, D.R. Hamann, and M. Schlüter, Phys. Rev. B 26, 4199 (1982).