Carbonyl vibrational wave packet circulation in Mn2(CO) 10 driven by ultrashort polarized laser pulses

Journal of Chemical Physics

Volumn 135, Issue 8, 2011, Pages

  Abdel Latif, Mahmoud K ^a,b   Kühn, Oliver ^a  

^a UNIVERSITY OF ROSTOCK   (Germany)

^b Beni Suef University   (Egypt)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ANHARMONIC COUPLINGS; EXCITATION CONDITIONS; FIELD STRENGTHS; NUMERICAL RESULTS; POLARIZED LASER PULSE; PULSE DURATIONS; SCHRDINGER EQUATIONS; STRETCHING VIBRATIONS; TIME-DEPENDENT HARTREE METHOD; TIME-SCALES; VIBRATIONAL QUANTA; VIBRATIONAL WAVE PACKETS;

CARBONYLATION; DENSITY FUNCTIONAL THEORY; LASER EXCITATION; MANGANESE; NUMERICAL METHODS; QUANTUM CHEMISTRY; STRETCHING; WAVE PACKETS;

WAVES;

EID: 80052394994     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3629776     Document Type: Article

References (35)

1. I. Barth and J. Manz, Angew. Chem., Int. Ed. 45, 2962 (2006). 10.1002/anie.200504147
2. I. Barth, J. Manz, Y. Shigeta, and K. Yagi, J. Am. Chem. Soc. 128, 7043 (2006). 10.1021/ja057197l
3. I. Barth, J. Manz, and L. Serrano-Andres, Chem. Phys. 347, 263 (2008). 10.1016/j.chemphys.2007.09.037
4. I. Barth and J. Manz, Phys. Rev. A 75, 012510 (2007). 10.1103/PhysRevA.75.012510
5. I. Barth, J. Manz, and P. Sebald, Chem. Phys. 346, 89 (2008). 10.1016/j.chemphys.2008.02.053
6. I. Barth, J. Manz, G. Perez-Hernandez, and P. Sebald, Z. Phys. Chem. 222, 1311 (2008). 10.1524/zpch.2008.5390
7. I. Barth and J. Manz, Progress in Ultrafast Intense Laser Sciences, Springer Series in Chemical Physics Vol. 99, edited by, K. Yamanouchi, G. Gerber, and, A. D. Bandrauk, (Springer, Berlin, 2010) p. 21.
8. J. Gaus, K. Kobe, V. Bonai-Kouteck, H. Khling, J. Manz, B. Reischl, S. Rutz, E. Schreiber, and L. Wste, J. Phys. Chem. 97, 12509 (1993). 10.1021/j100150a011
9. V. May and O. Kühn, Charge and Energy Transfer Dynamics in Molecular Systems, 3rd revised and enlarged edition (Wiley-VCH, Weinheim, 2011).
10. S. Arrivo, T. Dougherty, W. Grubbs, and E. Heilweil, Chem. Phys. Lett. 235, 247 (1995). 10.1016/0009-2614(95)00124-M
11. T. Witte, T. Hornung, L. Windhorn, D. Proch, R. de Vivie-Riedle, M. Motzkus, and K. L. Kompa, J. Chem. Phys. 118, 2021 (2003). 10.1063/1.1540101
12. C. Ventalon, J. M. Fraser, M. H. Vos, A. Alexandrou, J.-L. Martin, and M. Joffre, Proc. Natl. Acad. Sci. U.S.A. 101, 13216 (2004). 10.1073/pnas. 0401844101
13. C. Meier and M.-C. Heitz, J. Chem. Phys. 123, 044504 (2005). 10.1063/1.1946737
14. O. Kühn, Chem. Phys Lett. 402, 48 (2005). 10.1016/j.cplett.2004.12. 012
15. O. Kühn, In Multidimensional Quantum Dynamics, edited by, H.-D. Meyer, F. Gatti, and, G. A. Worth, (Wiley-VCH, Weinheim, 2009), p. 329.
16. C. Gollub, B. M. R. Korff, K. L. Kompa, and R. de Vivie-Riedle, Phys. Chem. Chem. Phys. 9, 369 (2007). 10.1039/b612286h
17. D. B. Strasfeld, S.-H. Shim, and M. T. Zanni, Phys. Rev. Lett. 99, 038102 (2007). 10.1103/PhysRevLett.99.038102
18. O. Kühn, M. R. D. Hachey, M. M. Rohmer, and C. Daniel, Chem. Phys. Lett. 322, 199 (2000). 10.1016/S0009-2614(00)00394-8
19. M. J. Nee, C. R. Baiz, J. M. Anna, R. Mccanne, and K. J. Kubarych, J. Chem. Phys 129, 084503 (2008). 10.1063/1.2969900
20. C. R. Baiz, P. L. McRobbie, N. K. Preketes, K. J. Kubarych, and E. Geva, J. Phys. Chem. A 113, 9617 (2009). 10.1021/jp9054654
21. C. R. Baiz, P. L. McRobbie, J. M. Anna, E. Geva, and K. J. Kubarych, Acc. Chem. Res. 42, 1395 (2009). 10.1021/ar9000263
22. J. T. King, C. R. Baiz, and K. J. Kubarych, J. Phys. Chem. A 114, 10590 (2010). 10.1021/jp106142u
23. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990). 10.1016/0009-2614(90)87014-I
24. M. H. Beck, A. Jckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000). 10.1016/S0370-1573(99)00047-2
25. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.04, Gaussian, Inc., Wallingford, CT, 2004.
26. L. Dahl and R. Rundle, Acta Crystallogr. 16, 419 (1963). 10.1107/S0365110X63001080
27. A. Almenningen, G. G. Jacobsen, and H. M. Seip, Acta Chem. Scand. 23, 685 (1969). 10.3891/acta.chem.scand.23-0685
28. M. Martin, B. Rees, and A. Mitschler, Acta Crystallogr. B 38, 6 (1982). 10.1107/S0567740882001939
29. H. Haas and R. K. Sheline, J. Chem. Phys 47, 2996 (1967). 10.1063/1.1712327
30. D. J. Parker, Spectrochim. Acta A 39, 463 (1983). 10.1016/0584-8539(83) 80162-7
31. See supplementary material at http://dx.doi.org/10.1063/1.3629776 E-JCPSA6-135-031133 for a detailed account on the construction of the model Hamiltonian.
32. H. Stapelfeldt and T. Seideman, Rev. Mod. Phys. 75, 543 (2003). 10.1103/RevModPhys.75.543
33. G. A. Worth, M. H. Beck, A. Jckle, and H.-D. Meyer, The MCTDH Package., version 8.2, (2000), University of Heidelberg, Heidelberg, Germany; H.-D. Meyer, Version 8.3 (2002), Version 8.4 (2007);
34. See http://mctdh.uni-hd.de.
35. H.-D. Meyer, F. L. Quere, C. Leonard, and F. Gatti, Chem. Phys. 329, 179 (2006). 10.1016/j.chemphys.2006.06.002