O-hydrogen bonding in density-functional theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 55, Issue 16, 1997, Pages R10157-R10160

  Hamann, D ^a  

^a LUCENT TECHNOLOGIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001040318     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.55.R10157     Document Type: Article

References (28)

1. F. Sim, A. St-Amant, I. Papai, and D. R. Salahub, J. Am. Chem. Soc. 114, 4391 (1992).
2. K. Laasonen, F. Csajka, and M. Parrinello, Chem. Phys. Lett. 194, 172 (1992).
3. R. N. Barnett and U. Landman, Phys. Rev. B 48, 2081 (1993).
4. M. Benoit, M. Bernasconi, P. Focher, and M. Parrinello, Phys. Rev. Lett. 76, 2934 (1996).
5. K. Laasonen, M. Sprik, and M. Parrinello, J. Chem. Phys. 99, 9080 (1993).
6. M. E. Tuckerman, K. Laasonen, M. Sprik, and M. Parrinello, J. Phys. Condens. Matter. 6, A93 (1994).
7. J. D. Bernal and R. H. Fowler, J. Chem. Phys. 1, 515 (1933).
8. L. Pauling, J. Am. Chem. Soc. 57, 2680 (1935).
9. B. Makov and M. C. Payne, Phys. Rev. B 51, 4014 (1995).
10. F. Gygi, Europhys. Lett. 19, 617 (1992); Phys. Rev. B 48, 11 692 (1993).
11. D. R. Hamann, Phys. Rev. B 51, 7337 (1995); ibid. 51, 9508 (1995).
12. D. R. Hamann, Phys. Rev. B 54, 1568 (1996).
13. D. R. Hamann, in Quantum Theory of Real Materials, edited by J. R. Chelikowsky and S. B. Louie (Kluwer, Boston, 1996), p. 129.
14. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
15. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
16. D. R. Hamann, Phys. Rev. Lett. 76, 660 (1996).
17. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
18. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
19. J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
20. A. D. Becke, Phys. Rev. A 30, 3098 (1988).
21. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
22. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
23. D. R. Hamann (unpublished).
24. F. D. Murnaghan, Proc. Natl. Acad. Sci. USA 30, 244 (1944).
25. E. Whalley, Trans. Faraday Soc. 53, 1578 (1957).
26. Von R. Brill and A. Tippe, Acta Crystallogr. 23, 343 (1967).
27. P. V. Hobbs, Ice Physics (Clarendon, Oxford, 1974), p. 263.
28. K. Kuchitsu and Y. Morino, Bull. Chem. Soc. Jpn. 38, 805 (1965).