References
1. Jardine AP, Lee EYM, Ward DJ, Alexandrowicz G, Hedgeland H, Allison W, Ellis J, Pollak E
(2010) Determination of the quantum contribution to the activated motion of hydrogen on a
metal surface: H/Pt(111). Phys Rev Lett 105:136101. doi:10.1103/PhysRevLett.105.136101.
URL: http://link.aps.org/doi/10.1103/PhysRevLett.105.136101
2. McIntosh EM, Wikfeldt KT, Ellis J, Michaelides A, Allison W (2013) Quantum effects in the
diffusion of hydrogen on Ru(0001). J Phys Chem Lett 4:1565–1569. doi:10.1021/jz400622v.
URL: http://pubs.acs.org/doi/abs/10.1021/jz400622v
3. Alexandrowicz G, Jardine AP, Fouquet P, Dworski S, Allison W, Ellis J (2004) Observation
of microscopic CO dynamics on Cu(001) using
3
He spin-echo spectroscopy. Phys Rev Lett
93:156103
4. van Hove L (1954) Correlations in space and time and born approximation scattering in
systems of interacting particles. Phys Rev 95:249–262
5. Xiao Y, Dong W, Busnengo HF (2010) Reactive force-field for surface chemical reactions: a
case study with hydrogen dissociation on Pd surfaces. J Chem Phys 132, 014704
6. Marquardt R, Cuvelier F, Olsen RA, Baerends EJ, Tremblay JC, Saalfrank P (2010) A new
analytical potential energy surface for the adsorption system CO/Cu(100). J Chem Phys
132:074108
7. Frischkorn C, Wolf M (2006) Femtochemistry at metal surfaces: nonadiabatic reaction
dynamics. Chem Rev 106:4206–4233
8. Morin M, Levinos NJ, Harris AL (1992) Vibrational energy transfer of CO/Cu(100):
nonadiabatic vibration/electron coupling. J Chem Phys 96:3950
9. Vazhappilly T, Beyvers S, Klamroth T, Luppi M, Saalfrank P (2007) Vibrationally enhanced
associative photodesorption of molecular hydrogen from Ru(0001). Chem Phys 338:299
10. Head-Gordon M, Tully JC (1992) Vibrational relaxation on metal surfaces: molecular-orbital
theory and application to CO/Cu(100). J Chem Phys 96(5):3939–3949
11. Jardine AP, Hedgeland H, Alexandrowicz G, Allison W, Ellis J (2009)
3
He spin echo:
principles and application to dynamics at surfaces. Prog Surf Sci 84:323–379
12. Worth GA, Beck MH, Jäckle A, Meyer HD (2007) The MCTDH package, Version 8.2,
(2000). H-D Meyer, Version 8.3 (2002), Version 8.4 (2007), Revision 8 (2012). http://mctdh.
uni-hd.de/
13. Jäckle A, Meyer HD (1996) Product representation of potential energy surfaces. J Chem Phys
104:7974–7984
14. Jäckle A, Meyer HD (1998) Product representation of potential energy surfaces. II. J Chem
Phys 109:3772–3779
15. Meyer HD, Le Quéré F, Léonard C, Gatti F (2006) Calculation and selective population of
vibrational levels with the multiconfiguration time-dependent Hartree (MCTDH) algorithm.
Chem Phys 329:179–192
16. Massalski TB (ed) (1986) Binary alloy phase diagrams. ASM Internations, Ohio
17. Beck MH, Jäckle A, Worth GA, Meyer HD (2000) The multiconfiguration time-dependent
Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets. Phys
Rep 324:1
18. Graham AP Toennies JP (1999) Determination of the lateral potential energy surface of single
adsorbed atoms and molecules on single crystal surfaces using helium atom scattering. Surf
Sci 427/428:1
19. Gennes PD (1959) Liquid dynamics and inelastic scattering of neutrons. Physica 25(7–12):825–
839 doi:http://dx.doi.org/10.1016/0031-8914(59)90006-0. URL: http://www.sciencedirect.com/
science/article/pii/0031891459900060
20. Tremblay JC (2013) A unifying model for non-adiabatic coupling at metallic surfaces beyond
the local harmonic approximation: from vibrational relaxation to scanning tunneling
microscopy. J Chem Phys 138(24):244106. doi:http://dx.doi.org/10.1063/1.4811150. URL:
http://scitation.aip.org/content/aip/journal/jcp/138/24/10.1063/1.4811150
192
T. Firmino et al.
1. Jardine AP, Lee EYM, Ward DJ, Alexandrowicz G, Hedgeland H, Allison W, Ellis J, Pollak E
(2010) Determination of the quantum contribution to the activated motion of hydrogen on a
metal surface: H/Pt(111). Phys Rev Lett 105:136101. doi:10.1103/PhysRevLett.105.136101.
URL: http://link.aps.org/doi/10.1103/PhysRevLett.105.136101
2. McIntosh EM, Wikfeldt KT, Ellis J, Michaelides A, Allison W (2013) Quantum effects in the
diffusion of hydrogen on Ru(0001). J Phys Chem Lett 4:1565–1569. doi:10.1021/jz400622v.
URL: http://pubs.acs.org/doi/abs/10.1021/jz400622v
3. Alexandrowicz G, Jardine AP, Fouquet P, Dworski S, Allison W, Ellis J (2004) Observation
of microscopic CO dynamics on Cu(001) using
3
He spin-echo spectroscopy. Phys Rev Lett
93:156103
4. van Hove L (1954) Correlations in space and time and born approximation scattering in
systems of interacting particles. Phys Rev 95:249–262
5. Xiao Y, Dong W, Busnengo HF (2010) Reactive force-field for surface chemical reactions: a
case study with hydrogen dissociation on Pd surfaces. J Chem Phys 132, 014704
6. Marquardt R, Cuvelier F, Olsen RA, Baerends EJ, Tremblay JC, Saalfrank P (2010) A new
analytical potential energy surface for the adsorption system CO/Cu(100). J Chem Phys
132:074108
7. Frischkorn C, Wolf M (2006) Femtochemistry at metal surfaces: nonadiabatic reaction
dynamics. Chem Rev 106:4206–4233
8. Morin M, Levinos NJ, Harris AL (1992) Vibrational energy transfer of CO/Cu(100):
nonadiabatic vibration/electron coupling. J Chem Phys 96:3950
9. Vazhappilly T, Beyvers S, Klamroth T, Luppi M, Saalfrank P (2007) Vibrationally enhanced
associative photodesorption of molecular hydrogen from Ru(0001). Chem Phys 338:299
10. Head-Gordon M, Tully JC (1992) Vibrational relaxation on metal surfaces: molecular-orbital
theory and application to CO/Cu(100). J Chem Phys 96(5):3939–3949
11. Jardine AP, Hedgeland H, Alexandrowicz G, Allison W, Ellis J (2009)
3
He spin echo:
principles and application to dynamics at surfaces. Prog Surf Sci 84:323–379
12. Worth GA, Beck MH, Jäckle A, Meyer HD (2007) The MCTDH package, Version 8.2,
(2000). H-D Meyer, Version 8.3 (2002), Version 8.4 (2007), Revision 8 (2012). http://mctdh.
uni-hd.de/
13. Jäckle A, Meyer HD (1996) Product representation of potential energy surfaces. J Chem Phys
104:7974–7984
14. Jäckle A, Meyer HD (1998) Product representation of potential energy surfaces. II. J Chem
Phys 109:3772–3779
15. Meyer HD, Le Quéré F, Léonard C, Gatti F (2006) Calculation and selective population of
vibrational levels with the multiconfiguration time-dependent Hartree (MCTDH) algorithm.
Chem Phys 329:179–192
16. Massalski TB (ed) (1986) Binary alloy phase diagrams. ASM Internations, Ohio
17. Beck MH, Jäckle A, Worth GA, Meyer HD (2000) The multiconfiguration time-dependent
Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets. Phys
Rep 324:1
18. Graham AP Toennies JP (1999) Determination of the lateral potential energy surface of single
adsorbed atoms and molecules on single crystal surfaces using helium atom scattering. Surf
Sci 427/428:1
19. Gennes PD (1959) Liquid dynamics and inelastic scattering of neutrons. Physica 25(7–12):825–
839 doi:http://dx.doi.org/10.1016/0031-8914(59)90006-0. URL: http://www.sciencedirect.com/
science/article/pii/0031891459900060
20. Tremblay JC (2013) A unifying model for non-adiabatic coupling at metallic surfaces beyond
the local harmonic approximation: from vibrational relaxation to scanning tunneling
microscopy. J Chem Phys 138(24):244106. doi:http://dx.doi.org/10.1063/1.4811150. URL:
http://scitation.aip.org/content/aip/journal/jcp/138/24/10.1063/1.4811150
192
T. Firmino et al.