Impurity rotations in quantum versus classical solids: O2 in solid hydrogens

Journal of Chemical Physics

Volumn 107, Issue 5, 1997, Pages 1544-1550

  Li, Z ^a   Apkarian, V A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ELECTRONIC DENSITY OF STATES; HYDROGEN; IMPURITIES; MOLECULAR ORIENTATION; MONTE CARLO METHODS; OXYGEN;

FRANCK-CONDON PROGRESSION; MOLECULAR BOND; PHONON DENSITY OF STATES; SOLID HYDROGENS;

MOLECULAR DYNAMICS;

EID: 0031212697     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474507     Document Type: Article

References (41)

1. M. E. Fajardo, S. Tam, T. L. Thompson, and M. E. Cordonnier, Chem. Phys. 189, 351 (1994).
2. T. Momose, M. Uchida, N. Sogoshi, M. Miki, S. Masuda, and T. Shida, Chem. Phys. Lett. 246, 583 (1995); T. Momose, M. Miki, M. Uchida, T. Shimizu, I. Yoshizawa, and T. Shida, J. Chem. Phys. 103, 1400 (1995).
3. T. Momose, M. Uchida, N. Sogoshi, M. Miki, S. Masuda, and T. Shida, Chem. Phys. Lett. 246, 583 (1995); T. Momose, M. Miki, M. Uchida, T. Shimizu, I. Yoshizawa, and T. Shida, J. Chem. Phys. 103, 1400 (1995).
4. A. V. Danilychev, V. E. Bondybey, V. A. Apkarian, S. Tanaka, H. Kajihara, and S. Koda, J. Chem. Phys. 103, 4292 (1995).
5. kl, must obey L+L′≥l≥|L-L′| and z→z′ precluding odd k-l values. In Ref. 3, the condition for the vector addition was miss stated as 1≥L+L′, however, the conclusion remains, since the lowest acceptable values of l for the substitutional site are 0, 4, 6⋯.
6. C. Callegari, J. Higgins, F. Stienkemeier, and G. Scoles, Proceedings of HEDM Conference (Boulder, 1996); K. Kinugawa, P. B. Moore, and M. L. Klein, J. Chem. Phys. 106, 1154 (1997).
7. C. Callegari, J. Higgins, F. Stienkemeier, and G. Scoles, Proceedings of HEDM Conference (Boulder, 1996); K. Kinugawa, P. B. Moore, and M. L. Klein, J. Chem. Phys. 106, 1154 (1997).
8. Q. Hui, J. L. Persson, J. H. M. Beijersbergen, and M. Takami, Laser Chem. 15, 221 (1995).
9. S. I. Kanorsky, M. Arndt, R. Dziewior, and A. Weis, Phys. Rev. B 49, 3645 (1994).
10. B. Tabbert, M. Beau, H. Gunther, W. Haubler, C. Honninger, K. Meyer, B. Plagemann, and G. zu Putlitz, Z. Phys. B 97, 425 (1995).
11. A. Scheidemann, B. Schilling, J. P. Toennies, and J. A. Northby, Physica B 165, 135 (1990); R. Frochtenicht, J. P. Toennies, A. Vilesov, Chem. Phys. Lett. 229, 1 (1994).
12. A. Scheidemann, B. Schilling, J. P. Toennies, and J. A. Northby, Physica B 165, 135 (1990); R. Frochtenicht, J. P. Toennies, A. Vilesov, Chem. Phys. Lett. 229, 1 (1994).
13. M. Hartmann, R. E. Miller, J. P. Toennies, and A. Vilesov, Phys. Rev. Lett. 75, 1566 (1995); Science 272, 1631 (1996).
14. M. Hartmann, R. E. Miller, J. P. Toennies, and A. Vilesov, Phys. Rev. Lett. 75, 1566 (1995); Science 272, 1631 (1996).
15. F. Stienkemeier, J. Higgins, W. E. Ernst, G. Scoles, Z. Phys. B 98, 413 (1995); Phys. Rev. Lett. 74, 3592 (1995); J. Chem. Phys. 102, 615 (1995); S. Goyal, D. L. Schutt, and G. Scoles, J. Phys. Chem. 97, 2236 (1993); S. Goyal, D. L. Schutt, G. Scoles, and G. N. Robinson, Chem. Phys. Lett. 196, 123 (1992).
16. F. Stienkemeier, J. Higgins, W. E. Ernst, G. Scoles, Z. Phys. B 98, 413 (1995); Phys. Rev. Lett. 74, 3592 (1995); J. Chem. Phys. 102, 615 (1995); S. Goyal, D. L. Schutt, and G. Scoles, J. Phys. Chem. 97, 2236 (1993); S. Goyal, D. L. Schutt, G. Scoles, and G. N. Robinson, Chem. Phys. Lett. 196, 123 (1992).
17. F. Stienkemeier, J. Higgins, W. E. Ernst, G. Scoles, Z. Phys. B 98, 413 (1995); Phys. Rev. Lett. 74, 3592 (1995); J. Chem. Phys. 102, 615 (1995); S. Goyal, D. L. Schutt, and G. Scoles, J. Phys. Chem. 97, 2236 (1993); S. Goyal, D. L. Schutt, G. Scoles, and G. N. Robinson, Chem. Phys. Lett. 196, 123 (1992).
18. F. Stienkemeier, J. Higgins, W. E. Ernst, G. Scoles, Z. Phys. B 98, 413 (1995); Phys. Rev. Lett. 74, 3592 (1995); J. Chem. Phys. 102, 615 (1995); S. Goyal, D. L. Schutt, and G. Scoles, J. Phys. Chem. 97, 2236 (1993); S. Goyal, D. L. Schutt, G. Scoles, and G. N. Robinson, Chem. Phys. Lett. 196, 123 (1992).
19. F. Stienkemeier, J. Higgins, W. E. Ernst, G. Scoles, Z. Phys. B 98, 413 (1995); Phys. Rev. Lett. 74, 3592 (1995); J. Chem. Phys. 102, 615 (1995); S. Goyal, D. L. Schutt, and G. Scoles, J. Phys. Chem. 97, 2236 (1993); S. Goyal, D. L. Schutt, G. Scoles, and G. N. Robinson, Chem. Phys. Lett. 196, 123 (1992).
20. B. E. Callicoatt, D. D. Mar, V. A. Apkarian, and K. C. Janda, J. Chem. Phys. 105, 7872 (1996).
21. J. Manz, J. Am. Chem. Soc. 102, 1802 (1980).
22. K. B. Whaley, Int. Rev. Phys. Chem. 13, 41 (1994).
23. G. Schallmoser, A. Thoma, B. E. Wurfel, and V. E. Bondybey, Chem. Phys. Lett. 219, 101 (1994); B. E. Wurfel, N. Caspary, J. Agreiter, A. Thoma, A. M. Smith, and V. E. Bondybey, J. Chem. Phys. 92, 351 (1995).
24. G. Schallmoser, A. Thoma, B. E. Wurfel, and V. E. Bondybey, Chem. Phys. Lett. 219, 101 (1994); B. E. Wurfel, N. Caspary, J. Agreiter, A. Thoma, A. M. Smith, and V. E. Bondybey, J. Chem. Phys. 92, 351 (1995).
25. M. Sterling, Z. Li, and V. A. Apkarian, J. Chem. Phys. 103, 5679 (1995).
26. J. Cao and G. A. Voth, J. Chem. Phys. 99, 10070 (1993); 100, 5106 (1994); 101, 6157 (1994).
27. J. Cao and G. A. Voth, J. Chem. Phys. 99, 10070 (1993); 100, 5106 (1994); 101, 6157 (1994).
28. J. Cao and G. A. Voth, J. Chem. Phys. 99, 10070 (1993); 100, 5106 (1994); 101, 6157 (1994).
29. J. A. Cao and G. A. Voth, J. Chem. Phys. 101, 6168 (1994).
30. M. Pavese and G. A. Voth, Chem. Phys. Lett. 249, 231 (1996).
31. D. Scharf, G. J. Martyna, D. Li, G. A. Voth, and M. Klein, J. Chem. Phys. 99, 9013 (1993); D. Scharf, G. J. Martyna, and M. Klein, ibid. 99, 8997 (1993).
32. D. Scharf, G. J. Martyna, D. Li, G. A. Voth, and M. Klein, J. Chem. Phys. 99, 9013 (1993); D. Scharf, G. J. Martyna, and M. Klein, ibid. 99, 8997 (1993).
33. D. Li and G. A. Voth, J. Chem. Phys. 96, 5340 (1992).
34. I. F. Silvera and V. V. Goldman, J. Chem. Phys. 69, 4209 (1978).
35. A. B. Anderson, J. C. Raich, and R. D. Etters, Phys. Rev. B 14, 814 (1976).
36. H. Friedman and S. Kimel, J. Chem. Phys. 41, 2552 (1964); 43, 3925 (1965); 44, 4359 (1966); 47, 3589 (1967).
37. H. Friedman and S. Kimel, J. Chem. Phys. 41, 2552 (1964); 43, 3925 (1965); 44, 4359 (1966); 47, 3589 (1967).
38. H. Friedman and S. Kimel, J. Chem. Phys. 41, 2552 (1964); 43, 3925 (1965); 44, 4359 (1966); 47, 3589 (1967).
39. H. Friedman and S. Kimel, J. Chem. Phys. 41, 2552 (1964); 43, 3925 (1965); 44, 4359 (1966); 47, 3589 (1967).
40. A. J. Barnes, in Vibrational Spectroscopy of Trapped Species, edited by H. E. Hallam (Wiley, New York, 1973), Chap. 4.
41. Z. Li, V. A. Apkarian, and L. B. Harding, J. Chem. Phys. 106, 942 (1997).