Spectral shifts and helium configurations in H4 eN -tetracene clusters

Journal of Chemical Physics

Volumn 131, Issue 12, 2009, Pages

  Whitley, Heather D ^a,b   Dubois, Jonathan L ^a,b   Whaley, K Birgitta ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER SIZES; ELECTRONIC TRANSITION; EQUILIBRIUM PROPERTIES; EXPERIMENTAL MEASUREMENTS; HELIUM DROPLETS; METASTABLE HELIUM; MULTIPLE CONFIGURATIONS; PAIRWISE INTERACTION; PATH INTEGRAL MONTE CARLO CALCULATIONS; PHTHALOCYANINE MOLECULES; QUANTITATIVE AGREEMENT; SEMI-EMPIRICAL; SPECTRAL SHIFT; SPECTRAL SPLITTING; TETRACENE; THEORETICAL STUDY;

DROP FORMATION; HELIUM;

RADIOACTIVITY;

EID: 70349632957     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3236386     Document Type: Article

References (62)

1. See the articles in Helium Nanodroplets: A Novel Medium for Chemistry and Physics, edited by, R. E. Miller, and, K. B. Whaley, special issue of J. Chem. Phys. 115, 10065 (2001). 10.1063/1.1418249 (Pubitemid 34061117)
2. F. Stienkemeier and A. F. Vilesov, J. Chem. Phys. 0021-9606 115, 10119 (2001). 10.1063/1.1415433 (Pubitemid 34063653)
3. F. Stienkemeier and K. K. Lehmann, J. Phys. B: At. Mol. Opt. Phys. 0953-4075 39, R127 (2006). 10.1088/0953-4075/39/8/R01
4. F. Paesani, Y. Kwon, and K. B. Whaley, Phys. Rev. Lett. 0031-9007 94, 153401 (2005). 10.1103/PhysRevLett.94.153401
5. M. Hartmann, A. Lindinger, J. P. Toennies, and A. F. Vilesov, Chem. Phys. 0301-0104 239, 139 (1998). 10.1016/S0301-0104(98)00250-X
6. U. Even, I. Al-Hroub, and J. Jortner, J. Chem. Phys. 0021-9606 115, 2069 (2001). 10.1063/1.1385154
7. M. Hartmann, A. Lindinger, J. P. Toennies, and A. F. Vilesov, J. Phys. Chem. A 1089-5639 105, 6369 (2001). 10.1021/jp003600t (Pubitemid 35378112)
8. A. Lindinger, J. P. Toennies, and A. F. Vilesov, Phys. Chem. Chem. Phys. 1463-9076 3, 2581 (2001). 10.1039/b100612f
9. N. Pörtner, A. F. Vilesov, and M. Havenith, Chem. Phys. Lett. 0009-2614 343, 281 (2001). 10.1016/S0009-2614(01)00648-0 (Pubitemid 33632234)
10. M. Hartmann, A. Lindinger, J. P. Toennies, and A. F. Vilesov, Phys. Chem. Chem. Phys. 1463-9076 4, 4839 (2002).
11. A. Lindinger, J. P. Toennies, and A. F. Vilesov, J. Chem. Phys. 0021-9606 121, 12282 (2004). 10.1063/1.1819878 (Pubitemid 41041585)
12. R. Lehnig and A. Slenczka, J. Chem. Phys. 0021-9606 122, 244317 (2005). 10.1063/1.1946739 (Pubitemid 41012642)
13. A. Lindinger, J. P. Toennies, and A. F. Vilesov, Chem. Phys. Lett. 0009-2614 429, 1 (2006). 10.1016/j.cplett.2006.07.072 (Pubitemid 44344636)
14. A. Lindinger, E. Lugovoj, J. P. Toennies, and A. F. Vilesov, Z. Phys. Chem. 0942-9352 215, 401 (2001). 10.1524/zpch.2001.215.3.401
15. R. Lehnig and A. Slenczka, J. Chem. Phys. 0021-9606 118, 8256 (2003). 10.1063/1.1565313
16. R. Lehnig and A. Slenczka, J. Chem. Phys. 0021-9606 120, 5064 (2004). 10.1063/1.1647536
17. R. Lehnig and A. Slenczka, ChemPhysChem 1439-4235 5, 1014 (2004). 10.1002/cphc.200400022
18. R. Schmied, P. Carcabal, A. M. Doktor, V. P. A. Lonij, K. K. Lehmann, and G. Scoles, J. Chem. Phys. 0021-9606 121, 2701 (2004). 10.1063/1.1767515
19. R. Lehnig, M. Slipchenko, S. Kuma, T. Momose, B. Saratakov, and A. Vilesov, J. Chem. Phys. 0021-9606 121, 9396 (2004). 10.1063/1.1804945 (Pubitemid 40001703)
20. R. Lehnig, J. A. Sebree, and A. Slenczka, J. Phys. Chem. A 1089-5639 111, 7576 (2007). 10.1021/jp0708493 (Pubitemid 47280502)
21. O. Birer, P. Moreschini, K. K. Lehmann, and G. Scoles, J. Phys. Chem. A 1089-5639 111, 7624 (2007). 10.1021/jp070741n (Pubitemid 47280507)
22. S. Kuma, H. Goto, M. N. Slipchenko, A. F. Vilesov, A. Khramov, and T. Momose, J. Chem. Phys. 0021-9606 127, 214301 (2007). 10.1063/1.2802303 (Pubitemid 350234533)
23. O. Birer, P. Moreschini, and K. K. Lehmann, Phys. Chem. Chem. Phys. 1463-9076 10, 1648 (2008). 10.1039/b717307e
24. Y. Kwon and K. B. Whaley, J. Chem. Phys. 0021-9606 114, 3163 (2001). 10.1063/1.1340567 (Pubitemid 32253436)
25. P. Huang and K. B. Whaley, Phys. Rev. B 0163-1829 67, 155419 (2003). 10.1103/PhysRevB.67.155419
26. P. Huang, H. D. Whitley, and K. B. Whaley, J. Low Temp. Phys. 0022-2291 134, 263 (2004). 10.1023/B:JOLT.0000012565.54363.64
27. H. D. Whitley, P. Huang, Y. Kwon, and K. B. Whaley, J. Chem. Phys. 0021-9606 123, 054307 (2005). 10.1063/1.1961532 (Pubitemid 41203886)
28. M. Xu and Z. Bačić, J. Phys. Chem. A 1089-5639 111, 7653 (2007). 10.1021/jp072218e (Pubitemid 47280511)
29. B. R. Gibbons, M. Xu, and Z. Bačić, J. Phys. Chem. A 1089-5639 113, 3789 (2009). 10.1021/jp809410s
30. H. D. Whitley, J. L. DuBois, and K. B. Whaley (unpublished).
31. D. Blume, M. Lewerenz, F. Huisken, and M. Kaloudis, J. Chem. Phys. 0021-9606 105, 8666 (1996). 10.1063/1.472648
32. R. A. Aziz, F. R. W. McCourt, and C. C. K. Wong, Mol. Phys. 0026-8976 61, 1487 (1987). 10.1080/00268978700101941
33. W. E. Carlos and M. W. Cole, Surf. Sci. 0039-6028 91, 339 (1980). 10.1016/0039-6028(80)90090-4
34. V. L. Ginzburg and A. A. Sobaynin, Sov. Phys. Usp. 0038-5670 19, 773 (1976). 10.1070/PU1976v019n10ABEH005336
35. E. Shalev, N. Ben-Horin, U. Even, and J. Jortner, J. Chem. Phys. 0021-9606 95, 3147 (1991). 10.1063/1.460872
36. A. Heidenreich, U. Even, and J. Jortner, J. Chem. Phys. 0021-9606 115, 10175 (2001). 10.1063/1.1401816 (Pubitemid 34061125)
37. A. Heidenreich and J. Jortner, J. Chem. Phys. 0021-9606 118, 10101 (2003). 10.1063/1.1567715
38. We follow the IUPAC numbering convention for planar aromatic hydrocarbons, see, for example, F. A. Carey, Organic Chemistry (McGraw-Hill, New York, 1996).
39. A. Sarsa, K. E. Schmidt, and W. Margo, J. Chem. Phys. 0021-9606 113, 1366 (2000). 10.1063/1.481926 (Pubitemid 30901810)
40. J. E. Cuervo, P. -N. Roy, and M. Boninsegni, J. Chem. Phys. 0021-9606 122, 114504 (2005). 10.1063/1.1872775
41. P. Huang, Ph.D. thesis, University of California, Berkeley, 2003.
42. D. M. Ceperley, Rev. Mod. Phys. 0034-6861 67, 279 (1995). 10.1103/RevModPhys.67.279
43. S. A. Chin, Phys. Lett. A 0375-9601 226, 344 (1997). 10.1016/S0375- 9601(97)00003-0
44. M. H. Kalos and P. A. Whitlock, Monte Carlo Methods (Wiley, New York, 1986), Vol. 1.
45. B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry (World Scientific, Singapore, 1994).
46. E. L. Pollock and D. M. Ceperley, Phys. Rev. B 0163-1829 30, 2555 (1984). 10.1103/PhysRevB.30.2555
47. P. Huang, Y. Kwon, and K. B. Whaley, in Quantum Fluids in Confinement, Advances in Quantum Many-Body Theories Vol. 4, edited by, E. Krotscheck, and, J. Navarro, (World Scientific, Singapore, 2002), p. 91, e-print arXiv:physics/0204089.
48. R. Zillich, F. Paesani, Y. Kwon, and K. B. Whaley, J. Chem. Phys. 0021-9606 123, 114301 (2005). 10.1063/1.1998847 (Pubitemid 41377059)
49. G. C. Schatz and M. A. Ratner, Quantum Mechanics in Chemistry (Prentice- Hall, Englewood Cliffs, NJ, 1993).
50. M. Hartmann, R. E. Miller, J. P. Toennies, and A. Vilesov, Phys. Rev. Lett. 0031-9007 75, 1566 (1995). 10.1103/PhysRevLett.75.1566
51. F. Paesani, F. A. Gianturco, and K. B. Whaley, J. Chem. Phys. 0021-9606 115, 10225 (2001). 10.1063/1.1412873 (Pubitemid 34061131)
52. H. Li, N. Blinov, P. -N. Roy, and R. J. L. Roy, J. Chem. Phys. 0021-9606 130, 144305 (2009). 10.1063/1.3109897
53. Y. Kwon and K. B. Whaley, J. Chem. Phys. 0021-9606 115, 10146 (2001). 10.1063/1.1392379 (Pubitemid 34061122)
54. The error in the thermodynamic estimator for an equilateral triangle of helium within the pair approximation (Fig. 47 of Ref.) is similar in magnitude.
55. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford, New York, 1989).
56. S. A. Chin and E. Krotscheck, Phys. Rev. B 0163-1829 52, 10405 (1995). 10.1103/PhysRevB.52.10405
57. H. D. Whitley, Ph.D. thesis, University of California, Berkeley, 2007.
58. U. Even, J. Jortner, D. Noy, and N. Lavie, J. Chem. Phys. 0021-9606 112, 8068 (2000). 10.1063/1.481405
59. D. M. Ceperley and E. Manousakis, J. Chem. Phys. 0021-9606 115, 10111 (2001). 10.1063/1.1418443 (Pubitemid 34061120)
60. C. A. Coulson and P. L. Davies, Trans. Faraday Soc. 0014-7672 48, 777 (1952). 10.1039/tf9524800777
61. A. Steiweiser, Molecular Orbital Theory for Organic Chemists (Wiley, New York, 1961).
62. CRC Handbook of Chemistry and Physics, 62th ed. (CRC, Boca Raton, FL, 1981).