Wavepacket theory of photodissociation and reactive scattering

Advances in Chemical Physics

Volumn 128, Issue , 2004, Pages 249-301

  Balint Kurti, Gabriel G ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78751654134     PISSN: 00652385     EISSN: None     Source Type: Book Series    
DOI: 10.1002/0471484237.ch4     Document Type: Review

References (204)

1. E. J. Heller, J. Chem. Phys. 68, 2066 (1978).
2. K. C. Kulander and E. J. Heller, J. Chem. Phys. 69, 2439 (1978).
3. E. J. Heller, Acc. Chem. Res. 14, 368 (1981).
4. G. G. Balint-Kurti, in International Review of Science, Series II, Vol. 1, A. D. Buckingham and C. A. Coulson, eds. (Butterworths, London, 1975), p. 286.
5. M. Baer, in Theory of Chemical Reaction Dynamics, Vol. I, M. Baer, ed., (CRC Press, Boca Raton, FL, 1985), p. 91.
6. W. A. Lester, Jr., in Dynamics of Molecular Collisions, Part A,W. H. Miller, ed. (Plenum Press, New York, 1976).
7. D. C. Clary, ed., The Theory of Chemical Reaction Dynamics (Reidel, Dordrecht, 1986).
8. R. G. Newton, Scattering Theory of Waves and Particles (McGraw-Hill, New York, 1966).
9. M. S. Child, Molecular Collision Theory (Academic Press, New York, 1974).
10. J. Z. H. Zhang, Theory and Application of Quantum Molecular Dynamics (World Scientific, Singapore, 1999).
11. M. Shapiro and R. Bersohn, Annu. Rev. Phys. Chem. 33, 409 (1982).
12. J. A. Beswick, in Dynamical Processes in Molecular Physics, G. Delgado-Barrio, ed. (Institute of Physics Publishing, Bristol, 1993).
13. G. G. Balint-Kurti and M. Shapiro, Adv. Chem. Phys. 60, 403 (1985).
14. R. Schinke, Photodissociation Dynamics (Cambridge Univ. Press, Cambridge, U.K., 1993).
15. G. G. Balint-Kurti and M. M. Law, Photodissociation Dynamics, Collaborative Computational Project 6 (CCP6) (Darsebury Laboratory, Daresbury, Warrington, WA4 4AD, U.K., 1994).
16. R. Kosloff, Annu. Rev. Phys. Chem. 45, 145 (1994).
17. R. Kosloff and C. Cerjan, J. Chem. Phys. 81, 3722 (1984).
18. C. Leforestier, R. Bisseling, C. Cerjan, M. D. Feit, R. Friesner, A. Guldberg, A. Hammerich, G. Jolicard,W. Karrlein, H.-D. Meyer, N. Lipkin, O. Roncero, and R. Kosloff, J. Comput. Phys. 94, 59 (1991).
19. T. N. Truong, J. J. Tanner, P. Bala, J. A. McCammon, D. J. Kouri, B. Lesyng, and D. K. Hoffman, J. Chem. Phys. 96, 2077 (1992).
20. G. G. Balint-Kurti, R. N. Dixon, and C. C. Marston, Int. Rev. Phys. Chem. 11, 317 (1992).
21. M. Shapiro, Israel J. Chem. 11, 691 (1973).
22. M. Shapiro, J. Chem. Phys. 56, 2582 (1972).
23. O. Atabek and R. Lefebvre, Chem. Phys. 23, 51 (1977).
24. O. Atabek, R. Lefebvre, and M. Jacon, Chem. Phys. Lett. 58, 196 (1978).
25. K. C. Kulander and J. C. Light, J. Chem. Phys. 73, 4337 (1980).
26. Y. B. Band, K. F. Freed, and D. J. Kouri, J. Chem. Phys. 74, 4380 (1981).
27. R. W. Numrich and K. G. Kay, J. Chem. Phys. 70, 4343 (1981).
28. O. Atabek and R. Lefebvre, Chem. Phys. 55, 395 (1981).
29. O. Atabek and R. Lefebvre, Chem. Phys. 56, 195 (1981).
30. S. Chu, J. Chem. Phys. 72, 4772 (1980).
31. J. E. Grabensteller and R. J. LeRoy, Chem. Phys. 42, 41 (1979).
32. K. Kodama and A. D. Bandrauk, Chem. Phys. 57, 461 (1981).
33. M. H. Alexander, B. Pouilly, and T. Duhoo, J. Chem. Phys. 99, 1752 (1993).
34. S. J. Singer, K. F. Freed, and Y. B. Band, J. Chem. Phys. 77, 1942 (1982).
35. Y. B. Band, K. F. Freed, S. J. Singer, and C. J. Williams, J. Phys. Chem. 99, 1752 (1993).
36. E. J. Heller, J. Chem. Phys. 68, 3891 (1978).
37. R. Kosloff, J. Phys. Chem. 92, 2087 (1988).
38. D. Kosloff and R. Kosloff, J. Comput. Phys. 52, 35 (1983).
39. H. Tal-Ezer and R. Kosloff, J. Chem. Phys. 81, 3967 (1984).
40. R. Kosloff and D. Kosloff, J. Comput. Phys. 63, 363 (1986).
41. D. Imre, J. L. Kinsey, A. Sinha, and J. Krenos, J. Phys. Chem. 88, 3956 (1984).
42. A. Untch, K. Weide, and R. Schinke, J. Chem. Phys. 95, 6496 (1985).
43. R. N. Dixon, C. C. Marston, and G. G. Balint-Kurti, J. Chem. Phys. 93, 6520 (1990).
44. F. Le Quere and C. Leforestier, J. Chem. Phys. 94, 1118 (1991).
45. D. Neuhauser, M. Baer, R. S. Judson, and D. J. Kouri, J. Chem. Phys. 90, 5882 (1989).
46. D. Neuhauser, M. Baer, R. S. Judson, and D. J. Kouri, Chem. Phys. Lett. 169, 372 (1990).
47. F. Gög̃tas, G. G. Balint-Kurti, and A. R. Offer, J. Chem. Phxys. 104, 7927 (1996).
48. S. K. Gray and C. E. Wozny, J. Chem. Phys. 94, 2817 (1991).
49. S. K. Gray, J. Chem. Phys. 96, 6543 (1992).
50. H. Guo, J. Chem. Phys. 97, 2602 (1993).
51. D. G. Xu, D. Q. Xie, and H. Guo, J. Chem. Phys. 116, 10626 (2002).
52. C.Woywod, M. Stengle,W. Domcke, H. Flothmann, and R. Schinke, J. Chem. Phys. 107, 7282 (1997).
53. H. Flothmann, C. Beck, R. Schinke, C. Woywod, and W. Domcke, J. Chem. Phys. 107, 7296 (1997).
54. H. Flothmann, R. Schinke, C. Woywod, and W. Domcke, J. Chem. Phys. 109, 2680 (1998).
55. J. H. Fillion, R. van Harrevelt, J. Ruiz, N. Castillejo, A. H. Zanganeh, J. L. Lemaire, M. C. van Hemert, and F. Rostas, J. Phys. Chem. A 105, 11414 (2001).
56. S. A. Harich, X. F. Yang, X. Yang, R. van Harrevelt, and M. C. van Hemert, Phys. Rev. Lett. 8726, article 263001 (2001).
57. R. van Harrevelt and M. C. van Hemert, J. Chem. Phys. 114, 9453 (2001).
58. R. N. Dixon, D. W. Hwang, X. F. Yang, S. A. Harich, J. J. Lin, and X. M. Yang, Science 285, 1249 (1999).
59. S. A. Harich, D. W. H. Hwang, X. F. Yang, J. J. Lin, X. M. Yang, and R. N. Dixon, J. Chem. Phys. 113, 10073 (2000).
60. S. A. Harich, X. F. Yang, D. W. H. Hwang, J. J. Lin, X. M. Yang, and R. N. Dixon, J. Chem. Phys. 114, 7830 (2001).
61. G. J. Kroes, M. C. van Hemert, G. D. Billing, and D. Neuhausrer, J. Chem. Phys. 107, 5757 (1997).
62. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 102, 7390 (1995).
63. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 103, 2903 (1995).
64. H. W. Jang and J. C. Light, J. Chem. Phys. 102, 3262 (1995).
65. G.-J Kroes and D. Neuhauser, J. Chem. Phys. 105, 8690 (1996).
66. G.-J Kroes, E. J. Baerends, and R. C. Mowrey, Phys. Rev. Lett. 78, 3583 (1997).
67. G.-J Kroes, M. R. Wall, J. W. Peng, and D. Neuhauser, J. Chem. Phys. 106, 1800 (1997).
68. G.-J Kroes, M. C. van Hemert, G. D. Billing, and D. Neuhauser, Chem. Phys. Lett. 271, 311 (1997).
69. R. Chen and H. Guo, J. Chem. Phys. 105, 3569 (1996).
70. R. Chen and H. Guo, Chem. Phys. Lett. 261, 605 (1996).
71. H. Guo, J. Chem. Phys. 108, 2466 (1998).
72. H. Guo and T. Seideman, Phys. Chem., Chem. Phys. 1, 1265 (1999).
73. D. Xie, H. Guo, Y. Amatatsu, and R. Kosloff, J. Chem. Phys. 104, 1009 (2000).
74. H. Guo, Chem. Phys. Lett. 289, 396 (1998).
75. G. G. Balint-Kurti, R. N. Dixon, and C. C. Marston, J. Chem. Soc. Faraday Trans. 2 86, 1741 (1990). [The RHS of Eq. (3) of this reference should be multiplied by 1/(4π) and Eq. (25), by 1/(16π2):]
76. A. Brown and G. G. Balint-Kurti, J. Chem. Phys. 113, 1870 (2000).
77. L. Pauling and E. B. Wilson, Introduction to Quantum Mechanics (McGraw-Hill, New York, 1935).
78. G. Herzberg, Molecular Spectra and Molecular Structure, Vol. 1, Spectra of Diatomic Molecules (Van Nostrand, Princeton, NJ, 1950).
79. L. I. Schiff, Quantum Mechanics (McGraw-Hill, New York, 1955).
80. G. G. Balint-Kurti and M. Shapiro, Chem. Phys. 61, 137 (1981).
81. R. D. Levine, Quantum Mechanics of Molecular Rate Processes (Clarendon, Oxford, 1969).
82. A. R. Edmonds, Angular Momentum in Quantum Mechanics (Princeton Univ. Press, Princeton, NJ, 1960).
83. R. N. Zare, Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics (Wiley, New York, 1988).
84. G. G. Balint-Kurti, L. Füsti-Molnár, and A. Brown, Phys. Chem., Chem. Phys. 3, 702 (2001).
85. A. Pe'er, M. Shapiro, and G. G. Balint-Kurti, J. Chem. Phys. 110, 11928 (1999).
86. M.V. Rama Krishna and R.D. Coalson, Chem. Phys., Phys. Chem.,Chem. Phys. 120, 327 (1988).
87. A. R. Offer and G. G. Balint-Kurti, J. Chem. Phys. 101, 10416 (1994).
88. Y. Sun and D. J. Kouri, J. Chem. Phys. 89, 2958 (1988).
89. Y. Sun, R. S. Judson, and D. J. Kouri, J. Chem. Phys. 90, 241 (1989).
90. S. K. Gray and C. E. Wozny, J. Chem. Phys. 91, 7671 (1989).
91. K. Weide, K. Kühl, and R. Schinke, J. Chem. Phys. 91, 3999 (1989).
92. J. C. Light, I. P. Hamilton, and V. J. Lill, J. Chem. Phys. 82, 1400 (1985).
93. A. J. H. M. Meijer and E. M. Goldfield, Phys. Chem., Chem. Phys. 3, 2811 (2001).
94. P. A. M. Dirac, The Principes of Quantum Mechanics, 4th ed. (Clarendon, Oxford, 1958).
95. C. Cohen-Tanouji, B. Diu, and F. Laloe, Quantum Mechanics, 2nd ed. (Wiley, New York, 1977).
96. P. M. Regan, D. Ascenzi, A. Brown, G. G. Balint-Kurti, and A. J. Orr-Ewing, Phys. Chem., Chem. Phys. 112, 10259 (2000).
97. A. Brown and G. G. Balint-Kurti, J. Chem. Phys. 113, 1879 (2000).
98. G. G. Balint-Kurti, A. J. Orr-Ewing, J. A. Beswick, A. Brown, and O. S. Vasyutenskii, J. Chem. Phys. 116, 10760 (2002).
99. E. R. Wouters, M. Ahmed, D. S. Peterska, A. S. Bracker, A. G. Suits, and O. S. Vasyutinskii, in Imaging in Chemical Dynamics, A. G. Suits and R. E. Continetti, eds. (American Chemical Society, Washington, DC, 2000), p. 238.
100. M. Karplus and K. T. Tang, Disc. Faraday Soc. 44, 56 (1967).
101. W. H. Miller, J. Chem. Phys. 49, 2373 (1968).
102. G. Wolken, Jr. and M. Karplus, J. Chem. Phys. 60, 351 (1974).
103. G. C. Schatz and A. Kuppermann, J. Chem. Phys. 65, 4642 (1976).
104. ibid., G. C. Schatz and A. Kuppermann, J. Chem. Phys., 65, 4668 (1976).
105. A. Kuppermann, in Theoretical Chemistry, Vol. 6, Part A, Theory of Scattering: Papers in Honour of Henry Eyring, D. Henderson, ed. (Academic Press, New York, 1981), p. 79.
106. J. C. Light and R. B. Walker, J. Chem. Phys. 65, 4272 (1976).
107. U. Halavee and M. Shapiro, J. Chem. Phys. 64, 2826 (1976).
108. M. Baer, Chem. Phys. 15, 49 (1976).
109. D. J. Kouri, in Theory of Chemical Reaction Dynamics, Vol. I, M. Baer, ed. (CRC Press, Boca Raton, FL, 1985), p. 163.
110. M. S. Child, Mol. Phys. 12, 401 (1967).
111. J. N. L. Connor, Mol. Phys. 15, 37 (1968).
112. M. D'Mello, D. E. Manolopoulos, and R. E. Wyatt, J. Chem. Phys. 94, 5985 (1991).
113. J. M. Launay and M. le Dourneuf, Chem. Phys. Lett. 163, 178 (1989).
114. D. C. Clary, J. Phys. Chem. 98, 10678 (1994).
115. R. T Pack and G. A. Parker, J. Chem. Phys. 87, 3888 (1987).
116. D. G. Truhlar, C. A. Mead, and M. A. Brandt, Adv. Chem. Phys. 33, 295 (1975).
117. G. C. Schatz, Annu. Rev. Phys. Chem. 39, 317 (1988).
118. D. E. Manolopoulos and D. C. Clary, Annu. Rep. C, Roy. Soc. Chem. 86, 95 (1989).
119. W. H. Miller, Annu. Rev. Phys. Chem. 41, 245 (1990).
120. J. M. Bowman, ed., Advances in Molecular Vibrations and Collision Dynamics, Vols. 2A and 2B (JAI Press, Greenwich, CT, 1994).
121. A. Laganà, R. T. Pack, and G. A. Parker, Faraday Disc. Chem. Soc. 84, 409 (1988).
122. P. Honvault and J. M. Launay, J. Chem. Phys. 114, 1057 (2001).
123. R. Jaquet, in Lecture Notes in Chemistry 77, Methods in Reaction Dynamics, W. Jakubetz, ed. (Springer-Verlag, Berlin, 2001).
124. G. Nyman and H. G. Yu, Rept. Prog. Phys. 63, 1001 (2000).
125. J. Mazur and R. J. Rubin, J. Chem. Phys. 31, 1395 (1959).
126. E. A. McCullough and R. E. Wyatt, J. Chem. Phys. 54, 3578, 3592 (1971).
127. Ch. Zuhrt, T. Kamal, and L. Zulicke, Chem. Phys. Lett. 36, 396 (1975).
128. E. Kellerhals, N. Sathyamurthy, and L. M. Raff, J. Chem. Phys. 64, 818 (1976).
129. P. M. Agrawal and L. M. Raff, J. Chem. Phys. 74, 5076 (1981).
130. C. Leforestier, Chem. Phys. 87, 241 (1984).
131. Z. H. Zhang and D. J. Kouri, Phys. Rev. A 34, 2687 (1986).
132. S. Thareja and N. Sathyamurthy, J. Phys. Chem. 91, 1970 (1987).
133. D. Neuhauser and M. Baer, J. Chem. Phys. 91, 4651 (1989)
134. D. Neuhauser, M. Baer, R. S. Judson, and D. J. Kouri, J. Chem. Phys. 93, 312 (1990).
135. S. K. Gray and G. G. Balint-Kurti, J. Chem. Phys. 108, 950 (1998).
136. T. E. Carroll and E. M. Goldfield, J. Phys. Chem. A 105, 2251 (2001).
137. S. M. Kingma, M. F. Somers, E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 118, 4190 (2003).
138. S. C. Althorpe, J. Chem. Phys. 114, 1601 (2001).
139. E. M. Goldfield and S. K. Gray, J. Chem. Phys. 117, 1604 (2002).
140. S. K. Gray and E. M. Goldfield, J. Chem. Phys. 115, 8331 (2001).
141. V. Mohan and N. Sathyamurthy, Comput. Phys. Rep. 7, 213 (1988).
142. N. Balakrishnan, C. Kalyanaraman, and N. Sathyamurthy, Phys. Rep. 280, 79 (1997).
143. S. C. Althorpe, P. Soldn, and G. G. Balint-Kurti, eds., Time-Dependent Quantum Dynamics CCP6; Collaborative Computational Project on Heavy Particle Dynamics (Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K., 2001).
144. J. Tennyson and B. T. Sutcliffe, J. Chem. Phys. 77, 4061 (1982).
145. J. Z. H. Zhang, J. Chem. Phys. 92, 324 (1990).
146. M. Hankel, G. G. Balint-Kurti, and S. K. Gray, J. Chem. Phys. 113, 9658 (2000).
147. Y. C. Zhang, J. F. Zhang, H. Y. Zhang, Q. G. Zhang, and J. Z. H. Zhang, J. Chem. Phys. 115, 8455 (2001).
148. M. Hankel, G. G. Balint-Kurti, and S. K. Gray, J. Phys. Chem. 105, 2330 (2001).
149. M. Hankel, G. G. Balint-Kurti, and S. K. Gray, Int. J. Quant. Chem. 92, 205 (2003).
150. G. G. Balint-Kurti, F. Gög̃tas, S. P. Mort, A. R. Offer, A. Laganà, and O. Garvasi, J. Chem. Phys. 99, 9567 (1993).
151. S. K. Gray, E. M. Goldfield, G. C. Schatz, and G. G. Balint-Kurti, Phys. Chem., Chem. Phys. 1, 1141 (1999).
152. S. K. Gray, G. G. Balint-Kurti, G. C. Schatz, J. J. Lin, X. Liu, S. Harich, and X. Yang, J. Chem. Phys. 113, 7330 (2000).
153. A. J. H. M. Meijer, E. M. Goldfield, S. K. Gray, and G. G. Balint-Kurti, Chem. Phys. Lett. 293, 270 (1998).
154. I. Miquel, M. Gonzalez, R. Sayos, G. G. Balint-Kurti, S. K. Gray, and E. M. Goldfield, J. Chem. Phys. 118, 3111 (2003).
155. R. T. Pack, J. Chem. Phys. 60, 633 (1974).
156. P. McGuire and D. J. Kouri, J. Chem. Phys. 60, 2488 (1974).
157. J. M. Bowman, J. Phys. Chem. 95, 4960 (1991).
158. M. Bittererova and J. M. Bowman, J. Chem. Phys. 113, 1 (2000).
159. W. H. Miller, J. Chem. Phys. 50, 407 (1969).
160. S. C. Althorpe, J. Chem. Phys. 117, 4623 (2002).
161. S. C. Althorpe, F. Fernandez-Alonso, B. D. Bean, J. D. Ayers, A. E. Pomerantz, R. N. Zare, and E. Wrede, Nature 416, 67 (2002).
162. M. Hankel, Ph. D. thesis, Univ. Bristol, Bristol, U.K., 2001.
163. A. Messiah, Quantum Mechanics, Vol. II, (North-Holland, Amsterdam, 1962).
164. The author thanks M. Shapiro for suggesting this method to him.
165. M. D. Feit and J. A. Fleck, Jr., J. Chem. Phys. 78, 301 (1983).
166. M. D. Feit and J. A. Fleck, Jr., J. Chem. Phys. 80, 2578 (1984).
167. C. Leforestier, J. Chem. Phys. 94, 6388 (1991).
168. G. Corey and D. Lemoine, J. Chem. Phys. 97, 4115 (1992).
169. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes (Cambridge Univ. Press, Cambridge, U.K., 1987).
170. M. Monnerville, P. Halvick, and J. C. Rayez, Chem. Phys. 159, 227 (1992).
171. M. Monnerville, P. Halvick, and J. C. Rayez, Chem. Soc. Faraday Trans. 89, 1579 (1993).
172. N. F. Mott and H. S.W. Massey, The Theory of Atomic Collisions (Oxford Univ. Press, Oxford, 1965).
173. C. Leforestier and R. E. Wyatt, J. Chem. Phys. 78, 2334 (1983).
174. D. Neuhauser and M. Baer, J. Chem. Phys. 90, 4351 (1989).
175. D. Neuhauser, M. Baer, R. S. Judson, and D. J. Kouri, Comput. Phys. Commun. 63, 460 (1991).
176. M. S. Child, Molec. Phys. 72, 89 (1991).
177. T. Seideman and W. H. Miller, J. Chem. Phys. 96, 4412 (1992).
178. Á. Vibók and G. G. Balint-Kurti, J. Chem. Phys. 96, 7615 (1992).
179. Á. Vibók and G. G. Balint-Kurti, J. Phys. Chem. 96, 8712 (1992).
180. G. G. Balint-Kurti and Á. Vibók, "Complex absorbing potentials in time dependent quantum dynamics," in Numerical Grid Methods and Their Application to Schrdinger's Equation, C. Cerjan, ed., NATO ASI series, Series C: Mathematical and Physical Sciences, Vol. 412 (Kluwer Academic Publishers, 1993), p. 195.
181. S. Mahapatra and N. Sathyamurthy, Chem. Soc Faraday Trans. 93, 773 (1997).
182. D. Macias, S. Brouard, and J. G. Muga, Chem. Phys. Lett. 228, 672 (1994).
183. S. Brouard, D. Macias and J. G. Muga, J. Phys. A 27, L439 (1994).
184. U. V. Riss and H.-D. Meyer, J. Chem. Phys. 105, 1409 (1996).
185. U. V. Riss and H.-D. Meyer, J. Phys. B 31, 2279 (1998).
186. D. E. Manolopoulos, J. Chem. Phys. 117, 9552 (2002).
187. S. K. Gray and J. M. Verosky, J. Chem. Phys. 100, 5011 (1994).
188. S. K. Gray and D. E. Manolopoulos, J. Chem. Phys. 104, 7099 (1996).
189. G. B. Arfken and H. J. Weber, Mathematical Methods for Physicists (Academic Press, San Diego, CA, 1970).
190. Y. Huang, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 101, 10493 (1994).
191. Y. Huang, S. S. Iyengar, D. J. Kouri, and D. K. Hoffman, J. Chem. Phys. 105, 927 (1996).
192. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990).
193. G. A. Worth, J. Chem. Phys. 112, 8322 (2000).
194. G. A. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 109, 3518 (1998).
195. F. Matzkies and U. Manthe, J. Chem. Phys. 110, 88 (1999).
196. G. R. Darling, Z. S. Wang, and S. Holloway, Chem. Phys. Lett. 365, 157 (2002).
197. C. Corriol, G. R. Darling, S. Holloway,W. Brenig, I. Andrianov, T. Klamroth, and P. Saalfrank, J. Chem. Phys. 117, 4489 (2002).
198. A. J. H. M. Meijer, A. J. Farebrother, and D. C. Clary, J. Phys. Chem. 106, 8996 (2002).
199. A. J. H. M. Meijer, A. J. Farebrother, D. C. Clary, and A. J. Fisher, J. Phys. Chem. 105, 2173 (2001).
200. M. Bonn, A. W. Kleyn, and G. J. Kroes, Surf. Sci. 500, 475 (2002).
201. D. H. Zhang and J. C. Light, J. Chem. Phys. 105, 1291 (1996).
202. W. Zhu, J. Dai, J. Z. H. Zhang, and D. H. Zhang, J. Chem. Phys. 105, 4881 (1996).
203. D. H. Zhang, M. A. Collins, and S.-Y. Lee, Science 290, 958 (2000).
204. A. J. H. M. Meijer, Comput. Phys. Commun. 141, 330 (2001).