Path integral Monte Carlo calculation of electronic forces

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 58, Issue 4, 1998, Pages 5123-5130

  Zong, Fenghua ^a   Ceperley, D M ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000698196     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.58.5123     Document Type: Article

References (30)

1. P. Ehrenfest, Z. Phys. 45, 455 (1927).ZEPYAA
2. R. P. Feynman, Phys. Rev. 56, 340 (1939)
3. thesis, Massachusetts Institute of Technology, 1939 (unpublished).
4. O. H. Nielsen and R. M. Martin, Phys. Rev. B 32, 3780 (1985)
5. O. H. NielsenR. M. Phys. Rev. B Martin32, 3792 (1985).
6. D. M. Ceperley and L. Mitas, in New Methods in Computational Quantum Mechanics, edited by I. Prigogine and S. A. Rice, Advances in Chemical Physics XCIII (Wiley, New York, 1996).
7. B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry (World Scientific, Singapore, 1994), Chap. 8.
8. J. Vrbik and S. M. Rothstein, J. Chem. Phys. 96, 2071 (1991).JCPSA6
9. C. J. Umrigar, Int. J. Quantum Chem., Quantum Chem. Symp. 23, 217 (1989).IJQSDI
10. P. Belohorec, S. M. Rothstein, and J. Vrbik, J. Chem. Phys. 98, 6401 (1993).JCPSA6
11. D. M. Ceperley, Rev. Mod. Phys. 67, 279 (1995).RMPHAT
12. D. M. Ceperley, in Monte Carlo and Molecular Dynamics of Condensed Matter Systems, edited by K. Binder and G. Ciccotti (Editrice Compositori, Bologna, Italy, 1996).
13. E. L. Pollock, Comput. Phys. Commun. 52, 49 (1988).CPHCBZ
14. C. Pierleoni, D. M. Ceperley, B. Bernu, and W. R. Magro, Phys. Rev. Lett. 73, 2145 (1994).PRLTAO
15. D. M. Ceperley, Phys. Rev. Lett. 69, 331 (1992).PRLTAO
16. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
17. W. Kolos and L. Wolniewicz, J. Chem. Phys. 43, 2429 (1965).JCPSA6
18. Z. W. Sun, W. A. Lester, Jr., and B. L. Hammond, J. Chem. Phys. 97, 7585 (1992).JCPSA6
19. J. B. Anderson, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Kluwer Academic, Boston, 1995).
20. J. K. Nørskov, Phys. Rev. B 20, 446 (1979).PRBMDO
21. J. K. Nørskov, J. Chem. Phys. 90, 7461 (1989).JCPSA6
22. O. B. Christensen, P. D. Ditlevsen, K. W. Jacobsen, P. Stoltze, O. H. Nielsen, and J. K. Nørskov, Phys. Rev. B 40, 1993 (1989).PRBMDO
23. F. Perrot and M. Rasolt, Phys. Rev. B 27, 3273 (1983).PRBMDO
24. F. Perrot, J. Phys.: Condens. Matter 6, 431 (1994).JCOMEL
25. Z. D. Popovic, M. J. Stott, J. P. Carbotte, and G. R. Piercy, Phys. Rev. B 13, 590 (1976)
26. P. Bhattacharyya and K. S. Singwi, Phys. Rev. Lett. 29, 22 (1972).PRLTAO
27. W. Ebeling, W. D. Kraeft, and D. Kremp, Theory of Bound States and Ionization Equilibrium in Plasmas and Solids (Akademie-Verlag, Berlin, 1976), Chap. 2.1.
28. R. M. Panoff and J. Carlson, Phys. Rev. Lett. 62, 1130 (1989).PRLTAO
29. Y. Kwon, D. M. Ceperley, and R. M. Martin, Phys. Rev. B 48, 12 037 (1993)
30. Y. Kwon, D. M. Ceperley, and R. M. Martin, Phys. Rev. B58, 6800 (1998).