Vibrational ground state properties of H5+ and its isotopomers from diffusion Monte Carlo calculations

Journal of Chemical Physics

Volumn 128, Issue 10, 2008, Pages

  Acioli, Paulo H ^a   Xie, Zhen ^b   Braams, Bastiaan J ^b   Bowman, Joel M ^a  

^a NORTHEASTERN ILLINOIS UNIVERSITY   (United States)

^b EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; DIFFUSION; GROUND STATE; MONTE CARLO METHODS; VIBRATIONAL SPECTROSCOPY;

DIATOMS; INTERSTELLAR MEDIUM; ISOTOPOMERS; NONSYMMETRIC ARRANGEMENT; ZERO-POINT AVERAGED STRUCTURE;

ISOMERS;

EID: 40849114847     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2838847     Document Type: Article

References (23)

1. D. Gerlich, E. Herbst, and E. Roueff, Planet. Space Sci. PLSSAE 0032-0633 10.1016/S0032-0633(02)00094-6 50, 1275 (2002).
2. T. R. Geballe and T. Oka, Nature (London) NATUAS 0028-0836 10.1038/384334a0 384, 334 (1996).
3. S. Petrie and D. K. Bohme, Mass Spectrom. Rev. MSRVD3 0277-7037 10.1002/mas.20114 26, 258 (2007).
4. T. Oka, Philos. Trans. R. Soc. London, Ser. A PTRMAD 0962-8428 10.1098/rsta.2006.1870 364, 2847 (2006).
5. T. R. Geballe, Philos. Trans. R. Soc. London, Ser. A PTRMAD 0962-8428 364, 3035 (2006).
6. T. R. Geballe and T. Oka, Science SCIEAS 0036-8075 10.1126/science. 1126279 312, 1610 (2006).
7. P. H. Dawson and A. W. Tickner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1701394 37, 672 (1962).
8. M. Okumura, L. I. Yeh, and Y. T. Lee, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454488 88, 79 (1988).
9. Y. K. Bae, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(91)87137- Z 180, 179 (1991).
10. R. Prosmiti, A. A. Buchachenko, P. Villareal, and G. Delgado-Barrio, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s002140100292 106, 426 (2001).
11. G. Moyano and M. Collins, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1599339 119, 5510 (2003).
12. Z. Xie, B. J. Braams, and J. M. Bowman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1927529 122, 224307 (2005).
13. B. Beuhler, S. Ehrenson, and L. Friedman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445781 79, 5982 (1983).
14. K. Hiraoka and T. Mori, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456720 91, 4821 (1989).
15. J. B. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.431514 63, 1499 (1975).
16. P. J. Reynolds, D. M. Ceperley, B. J. Alder, and W. A. Lester, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.443766 77, 5593 (1982).
17. P. A. Whitlock, D. M. Ceperley, G. V. Chester, and M. H. Kalos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.19.5598 19, 5598 (1979).
18. B. Bernu, D. M. Ceperley, and W. A. Lester, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459555 93, 552 (1990).
19. F. V. Prudent, L. S. Costa, and P. H. Acioli, J. Phys. B JPAPEH 0953-4075 10.1088/0953-4075/33/22/201 33, R285 (2000).
20. A. Sarsa, K. E. Schmidt, and W. R. Magro, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481926 113, 1366 (2000).
21. S. Baroni and S. Moroni, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.4745 82, 4745 (1999).
22. D. Gerlich, F. Windisch, P. Hlavenka, R. Plašil, and J. Glosik, Philos. Trans. R. Soc. London, Ser. A PTRMAD 0962-8428 10.1098/rsta.2006.1865 364, 3007 (2006).
23. H. Roberts and T. J. Millar, Philos. Trans. R. Soc. London, Ser. A PTRMAD 0962-8428 364, 3063 (2006).