Quantum Molecular Dynamics Simulations of Low-Temperature High Energy Density Matter: Solid P-H2/Li and p-H2/B

Journal of Physical Chemistry A

Volumn 103, Issue 47, 1999, Pages 9512-9520

  Jang, Soonmin ^a   Jang, Seogjoo ^a   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001753206     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp992098d     Document Type: Article

References (50)

1. Fajardo, M. E.; Carrick, P. G.; Kenney III, J. W. J. Chem. Phys. 1991, 5812, 94.
2. Fajardo, M. E. J. Chem. Phys. 1993, 110, 98.
3. Fajardo, M. E.; Tam, S.; Thompson, T. L.; Cordonnier, M. E. Chem. Phys. 1994, 351, 189.
4. Li, D.; Voth, G. A. J. Chem. Phys. 1992, 5340, 96.
5. Li, D.; Voth, G. A. J. Chem. Phys. 1993, 5734, 98.
6. Cheng, E.; Whaley, K. B. J. Chem. Phys. 1996, 3155, 104.
7. Scharf, D.; Martyna, G. J.; Li, D.; Voth, G. A.; Klein, M. L. J. Chem. Phys. 1993, 99, 9013.
8. Jang, S.; Voth, G. A. J. Chem. Phys. 1998, 4098, 108.
9. Gerber, R. B.; Li, Z.; McCoy, A. B. In Proceedings of the High Energy Density Matter (HEDM) Contractors' Meeting, 6-8 June 1993, Woods Hole, MA; Thompson, T. L. Ed.; USAF Phillips Laboratory: Edwards AFB, CA, 1993; PL-TR-93-3041.
10. Vegiri, A.; Alexander, M. H.; Gregurick, S.; McCoy, A. B.; Gerber, R. B. J. Chem. Phys. 1994, 101, 2577.
11. For reviews, see: (a) Berne, B. J.; Thirumalai, D. Annu. Rev. Phys. Chem. 1986, 37, 401. (b) Freeman, D. L.; Doll, J. D. Adv. Chem. Phys. B 1988 70, 139. (c) Doll, J. D.; Freeman, D. L. Adv. Chem. Phys. B 1989 73, 289. (d) Doll, J. D., Gubernatis, J. E., Eds. Quantum Simulation of Condensed Matter Phenomena; World Scientific: Singapore, 1990. (e) Chandler, D. In Liquides, Cristallisation et Transition Virtreuse, Les Houches, Session LI; Levesque, D., Hansen, J. P., ZinnJustin, J., Eds.; Elsevier: New York, 1991.
12. For reviews, see: (a) Berne, B. J.; Thirumalai, D. Annu. Rev. Phys. Chem. 1986, 37, 401. (b) Freeman, D. L.; Doll, J. D. Adv. Chem. Phys. B 1988 70, 139. (c) Doll, J. D.; Freeman, D. L. Adv. Chem. Phys. B 1989 73, 289. (d) Doll, J. D., Gubernatis, J. E., Eds. Quantum Simulation of Condensed Matter Phenomena; World Scientific: Singapore, 1990. (e) Chandler, D. In Liquides, Cristallisation et Transition Virtreuse, Les Houches, Session LI; Levesque, D., Hansen, J. P., ZinnJustin, J., Eds.; Elsevier: New York, 1991.
13. For reviews, see: (a) Berne, B. J.; Thirumalai, D. Annu. Rev. Phys. Chem. 1986, 37, 401. (b) Freeman, D. L.; Doll, J. D. Adv. Chem. Phys. B 1988 70, 139. (c) Doll, J. D.; Freeman, D. L. Adv. Chem. Phys. B 1989 73, 289. (d) Doll, J. D., Gubernatis, J. E., Eds. Quantum Simulation of Condensed Matter Phenomena; World Scientific: Singapore, 1990. (e) Chandler, D. In Liquides, Cristallisation et Transition Virtreuse, Les Houches, Session LI; Levesque, D., Hansen, J. P., ZinnJustin, J., Eds.; Elsevier: New York, 1991.
14. For reviews, see: (a) Berne, B. J.; Thirumalai, D. Annu. Rev. Phys. Chem. 1986, 37, 401. (b) Freeman, D. L.; Doll, J. D. Adv. Chem. Phys. B 1988 70, 139. (c) Doll, J. D.; Freeman, D. L. Adv. Chem. Phys. B 1989 73, 289. (d) Doll, J. D., Gubernatis, J. E., Eds. Quantum Simulation of Condensed Matter Phenomena; World Scientific: Singapore, 1990. (e) Chandler, D. In Liquides, Cristallisation et Transition Virtreuse, Les Houches, Session LI; Levesque, D., Hansen, J. P., ZinnJustin, J., Eds.; Elsevier: New York, 1991.
15. For reviews, see: (a) Berne, B. J.; Thirumalai, D. Annu. Rev. Phys. Chem. 1986, 37, 401. (b) Freeman, D. L.; Doll, J. D. Adv. Chem. Phys. B 1988 70, 139. (c) Doll, J. D.; Freeman, D. L. Adv. Chem. Phys. B 1989 73, 289. (d) Doll, J. D., Gubernatis, J. E., Eds. Quantum Simulation of Condensed Matter Phenomena; World Scientific: Singapore, 1990. (e) Chandler, D. In Liquides, Cristallisation et Transition Virtreuse, Les Houches, Session LI; Levesque, D., Hansen, J. P., ZinnJustin, J., Eds.; Elsevier: New York, 1991.
16. Cao, J.; Voth, G. A. J. Chem. Phys. 1993, 10070, 99.
17. Cao, J.; Voth, G. A. J. Chem. Phys. 1994, 5106, 100.
18. Cao, J.; Voth, G. A. J. Chem. Phys. 1994, 6157, 101.
19. Cao, J.; Voth, G. A. J. Chem. Phys. 1994, 6168, 101.
20. Calhoun, A.; Pavese, M.; Voth, G. A. Unpublished results.
21. Calhoun, A.; Pavese, M.; Voth, G. A. Chem. Phys. Lett. 1996, 415, 262.
22. Kinugawa, K. Chem. Phys. Lett. 1998, 454, 292.
23. Martyna, G. J.; Klein, M. L.; Tuckerman, M. J. Chem. Phys. 1992, 2635, 97.
24. Voth, G. A.; Chandler, D.; Miller, W. H. J. Chem. Phys. 1989, 7749, 91.
25. Voth, G. A. Chem. Phys. Lett. 1990, 289, 270.
26. Voth, G. A. J. Phys. Chem. 1993, 8365, 97.
27. Gillan, M. J. J. Phys. C 1987, 3621, 20.
28. Cao, J.; Voth, G. A. J. Chem. Phys 1996, 6856, 105.
29. Silvera, I. F.; Goldman, V. V. J. Chem. Phys. 1978, 4209, 69.
30. Alexander, M. H.; Yang, M. J. Chem. Phys. 1995, 9756, 103.
31. Dupuis, M.; Liu, B. J. Chem. Phys. 1978, 2902, 68.
32. Deutsch, P. W.; Curtiss, L. A.; Pople, J. A. Chem. Phys. Lett. 1990, 33, 174.
33. Hachey, M.; Karna, S. P.; Grein, F. J. Phys. B: At. Mol. Opt. Phys. 1992, 1119, 25.
34. Martin, J. M. L.; Francois, J. P.; Gijbels, R. Chem. Phys. Lett. 1992, 529, 189.
35. Peterson, K. A.; Wilson A. K.; Woon D. E.; Dunning, T. H., Jr. Theor. Chem. Acc. 1997, 97, 251.
36. Jang, S.; Voth, G. A. J. Chem. Phys. 1997, 9514, 107.
37. Nosé, S. J. Chem. Phys. 1984, 511, 81.
38. Nosé, S. Mol. Phys. 1984, 255, 52.
39. Hoover, W. G. Phys. Rev. A 1985, 1695, 31.
40. Tuckerman, M. E.; Berne, B. J.; Martyna, G. J.; Klein, M. L. J. Chem. Phys. 1993, 2796, 99.
41. Tuckerman, M. E.; Parrinello, M. J. Chem. Phys. 1994, 1302, 101.
42. Tuckerman, M. E.; Marx, D.; Klein, M. L.; Parrinello, M. J. Chem. Phys. 1996, 5579, 104.
43. Andersen, H. C. J. Chem. Phys. 1980. 2384, 72.
44. Parinello, M.; Rahman, A. Phys. Rev. Lett. 1980, 1196, 45.
45. Alexander, M. H. J. Chem. Phys. 1993, 6014, 99.
46. Alexander, M. H.; Vegiri, A. In Proceedings of the High Energy Density Matter (HEDM) Contractors Conference, 6-8 June 1993, Woods Hole, MA; Thompson, T. L., Ed.; USAF Phillips Laboratory: Edwards AFB, CA, 93524-5000, 1993; PL-TR-93-3041.
47. Smoluchowski, M. Z. Phys. Chem. 1918, 129, 92.
48. Collins, F. C.; Kimball, G. E. Science 1949, 425, 4.
49. Noyes, R. M. Prog. React. Kinet. 1961, 129, 1.
50. Ferrario, M. In Computer Simulation in Chemical Physics; Allen, M. P., Tildesley, D. J., Eds.; NATO ASI Series C.; Kluwer Academic Publishers: New York, 1993; Vol. 397.