Inhomogeneous random-phase approximation and many-electron trial wave functions

Physical Review B - Condensed Matter and Materials Physics

Volumn 63, Issue 11, 2001, Pages

  Gaudoin, R ^a   Nekovee, M ^a,c   Foulkes, W M C ^a   Needs, R J ^b   Rajagopal, G ^b  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c QUEEN MARY UNIVERSITY OF LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; DENSITY; ELECTRON; GAS; QUANTUM MECHANICS; RANDOMIZATION; SYSTEM ANALYSIS; THEORY; WAVEFORM;

EID: 0034895736     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.63.115115     Document Type: Article

References (32)

1. M. H. Kalos and P. A. Whitlock, Monte Carlo Methods Volume 1: Basics (Wiley, New York, 1986).
2. B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry (World Scientific, Singapore, 1994).
3. S. Fahy, X. W. Wang, and S. G. Louie, Phys. Rev. Lett., 61, 1631 (1988).
4. S. Fahy, X. W. Wang, and S. G. Louie, Phys. Rev. B, 42, 3503 (1990).
5. X.–P. Li, D. M. Ceperley, and R. M. Martin, Phys. Rev. B, 44, 10 929 (1991).
6. G. Rajagopal, R. J. Needs, A. James, S. D. Kenny, and W. M. C. Foulkes, Phys. Rev. B, 51, 10 591 (1995).
7. P. R. C. Kent, R. Q. Hood, A. J. Williamson, R. J. Needs, W. M. C. Foulkes, and G. Rajagopal, Phys. Rev. B, 59, 1917 (1999).
8. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University, New York, 1989).
9. W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys., 73, 33 (2001).
10. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys., 21, 1087 (1953).
11. D. Bohm and D. Pines, Phys. Rev., 92, 609 (1953).
12. D. M. Ceperley, Phys. Rev. B, 18, 3126 (1978).
13. A. Malatesta, S. Fahy, and G. B. Bachelet, Phys. Rev. B, 56, 12 201 (1997).
14. S. Fahy, in Quantum Monte Carlo Methods in Physics and Chemistry, Vol. 525 of Nato Science Series C: Mathematical and Physical Sciences, edited byM. P. Nightingale and C. J. Umrigar (Kluwer Academic, Dordrecht, The Netherlands, 1999), p. 101.
15. K. E. Schmidt and J. W. Moskowitz, J. Chem. Phys., 97, 3382 (1992).
16. C.–J. Huang, C. J. Umrigar, and M. P. Nightingale, J. Chem. Phys., 107, 3007 (1997).
17. W. M. C. Foulkes, R. Q. Hood, and R. J. Needs, Phys. Rev. B, 60, 4558 (1999).
18. T. Kato, Commun. Pure Appl. Math., 10, 151 (1957).
19. R. T. Pack and W. B. Brown, J. Chem. Phys., 45, 556 (1966).
20. T. Gaskell, Proc. Phys. Soc. London, 77, 1182 (1961);
21. T. Gaskell, Proc. Phys. Soc. London, 80, 1091 (1962).
22. E. Krotscheck, W. Kohn, and G. X. Qian, Phys. Rev. B, 32, 5693 (1985).
23. C. J. Umrigar, K. G. Wilson, and J. W. Wilkins, Phys. Rev. Lett., 60, 1719 (1988).
24. P. R. C. Kent, R. J. Needs, and G. Rajagopal, Phys. Rev. B, 59, 12 344 (1999).
25. D. Bohm, K. Huang, and D. Pines, Phys. Rev., 107, 71 (1957).
26. S. Raimes, Many-Electron Theory (North-Holland, Amsterdam-London, 1972).
27. M. Nekovee, W. M. C. Foulkes, A. J. Williamson, G. Rajagopal, and R. J. Needs, Adv. Quantum Chem., 33, 189 (1999).
28. H. J. Flad, A. Savin, J. Chem. Phys., 103, 691 (1995).
29. A. J. Williamson, S. D. Kenny, G. Rajagopal, A. J. James, R. J. Needs, L. M. Fraser, W. M. C. Foulkes, and P. Maccallum, Phys. Rev. B, 53, 9640 (1996).
30. L. M. Fraser, W. M. C. Foulkes, G. Rajagopal, R. J. Needs, S. D. Kenny, and A. J. Williamson, Phys. Rev. B, 53, 1814 (1996).
31. A. J. Williamson, G. Rajagopal, R. J. Needs, L. M. Fraser, W. M. C. Foulkes, Y. Wang, and M.-Y. Chou, Phys. Rev. B, 55, R4851 (1997).
32. D. Bevan, M.Sc. thesis, National University of Ireland, Cork, Ireland, 1997.