Skip to main content
SpringerLink
Log in

Simulation of Time-Resolved Photoionization Signals

  • Chapter
  • First Online:
Molecular Conformation and Organic Photochemistry

Part of the book series: Springer Theses ((Springer Theses))

  • 931 Accesses

Abstract

In any scientific field there is a mutual benefit from the combination of theory and experiment in which progress in one discipline stimulates new efforts in the other. Thus, the pioneering theoretical work of Seel and Domcke lead to the birth of ultrafast time-resolved photoionization experiments [1, 2]. Whereas much effort in theory is devoted to such exploratory tracks, this chapter will focus on the simulation of signals obtained from experiments already conducted. While striving for the best possible agreement between theory and experiment the real purpose of such simulations is to aid the interpretation of experimental data, ultimately aiming at a better understanding of the molecular dynamics under investigation.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Seel, M., Domcke, W.: J. Chem. Phys. 95, 7806–7822 (1991)

    Article  CAS  Google Scholar 

  2. Seel, M., Domcke, W.: Chem. Phys. 151, 59–72 (1991)

    Article  CAS  Google Scholar 

  3. Ben-Nun, M., Martínez, T.J.: Adv. Chem. Phys. 121, 439–512 (2002)

    Article  CAS  Google Scholar 

  4. Ben-Nun, M., Martínez, T.J.: Chem. Phys. Lett. 298, 57–65 (1998)

    Article  CAS  Google Scholar 

  5. Ben-Nun, M., Martínez, T.: J. Chem. Phys. 108, 7244–7257 (1998)

    Article  CAS  Google Scholar 

  6. Ben-Nun, M., Quenneville, J., Martínez, T.J.: J. Phys. Chem. A 104, 5161–5175 (2000)

    Article  CAS  Google Scholar 

  7. Hack, M.D., Wensmann, A.M., Truhlar, D.G., Ben-Nun, M., Marti­­nez, T.J.: J. Chem. Phys. 115, 1172–1186 (2001)

    Article  CAS  Google Scholar 

  8. Ko, C., Levine, B., Toniolo, A., Manohar, L., Olsen, S., Werner, H.-J., Martínez, T.J.: J. Am. Chem. Soc. 125, 12710–12711 (2003)

    Article  CAS  Google Scholar 

  9. Baeck, K.K., Martinez, T.J.: Chem. Phys. Lett. 375, 299–308 (2003)

    Article  CAS  Google Scholar 

  10. Choi, H., Baeck, K.K., Martinez, T.J.: Chem. Phys. Lett. 398, 407–413 (2004)

    Article  CAS  Google Scholar 

  11. Martínez, T.J.: Acc. Chem. Res. 39, 119–126 (2006)

    Article  Google Scholar 

  12. Coe, J.D.: J. Martínez, T. Mol. Phys. 106, 537–545 (2008)

    Article  CAS  Google Scholar 

  13. Ko, C., Virshup, A.M., Martínez, T.J.: Chem. Phys. Lett. 460, 272–277 (2008)

    Article  CAS  Google Scholar 

  14. Hudock, H.R., Martínez, T.J.: ChemPhysChem 9, 2486–2490 (2008)

    Article  CAS  Google Scholar 

  15. Tao, H., Levine, B.G., Martínez, T.J.: J. Phys. Chem. A 113, 13656–13662 (2009)

    Article  CAS  Google Scholar 

  16. Thompson, A.L., Punwong, C., Martínez, T.J.: Chem. Phys. 370, 70–77 (2010)

    Article  CAS  Google Scholar 

  17. Tao, H., Allison, T.K., Wright, T.W., Stooke, A.M., Khurmi, C., van Tilborg, J., Liu, Y., Falcone, R.W., Belkacem, A., Martinez, T.J.: J. Chem. Phys. 134, 244306 (2011)

    Article  CAS  Google Scholar 

  18. Fuß, W., Schmid, W., Trushin, S.: Chem. Phys. 316, 225–234 (2005)

    Article  Google Scholar 

  19. Schalk, O., Boguslavskiy, A.E., Stolow, A.: J. Phys. Chem. A 114, 4058–4064 (2010)

    Article  CAS  Google Scholar 

  20. Roos, B.O.: In: Rice, S.A., Prigogine, I. (eds.) Advances in Chemical Physics, Vol. 69, pp. 399–445. Wiley, New York (1987)

    Google Scholar 

  21. Levine, B.G., Coe, J.D., Virshup, A.M., Martínez, T.J.: Chem. Phys. 347, 3–16 (2008)

    Article  CAS  Google Scholar 

  22. Mead, C.A., Truhlar, D.G.: J. Chem. Phys. 77, 6090–6098 (1982)

    Article  CAS  Google Scholar 

  23. Ruedenberg, K., Atchity, G.J.: J. Chem. Phys. 99, 3799–3803 (1993)

    Article  CAS  Google Scholar 

  24. Kosloff, R.J.: Phys. Chem. 92, 2087–2100 (1988)

    Article  CAS  Google Scholar 

  25. Light, J.C., Hamilton, I.P., Lill, J.V.: J. Chem. Phys. 82, 1400–1409 (1985)

    Article  CAS  Google Scholar 

  26. Kosloff, R.: Annu. Rev. Phys. Chem. 45, 145–178 (1994)

    Article  CAS  Google Scholar 

  27. Heller, E.J.: J. Chem. Phys. 62, 1544–1555 (1975)

    Article  CAS  Google Scholar 

  28. Burghardt, I., Meyer, H.-D., Cederbaum, L.S.: J. Chem. Phys. 111, 2927–2939 (1999)

    Article  CAS  Google Scholar 

  29. Worth, G.A., Burghardt, I.: Chem. Phys. Lett. 368, 502–508 (2003)

    Article  CAS  Google Scholar 

  30. Burghardt, I., Nest, M., Worth, G.A.: J. Chem. Phys. 119, 5364–5378 (2003)

    Article  CAS  Google Scholar 

  31. Burghardt, I., Giri, K., Worth, G.A.: J. Chem. Phys. 129, 174104 (2008)

    Article  CAS  Google Scholar 

  32. Ben-Nun, M., Martínez, T.J.: Isr. J. Chem. 47, 75–88 (2007)

    Article  CAS  Google Scholar 

  33. Tannor, D.J.: Introduction to Quantum Mechanics—A Time-Dependent Perspective. University Science Books, Sausalito (2007)

    Google Scholar 

  34. Brown, R.C., Heller, E.J.: J. Chem. Phys. 75, 186–188 (1981)

    Article  CAS  Google Scholar 

  35. Davis, M.J., Heller, E.J.: J. Chem. Phys. 80, 5036–5048 (1984)

    Article  CAS  Google Scholar 

  36. Levine, B.G., Martínez, T.J.: J. Phys. Chem. A 113, 12815–12824 (2009)

    Article  CAS  Google Scholar 

  37. Patchkovskii, S., Zhao, Z., Brabec, T., Villeneuve, D.M.: Phys. Rev. Lett. 97, 123003–123007 (2006)

    Article  Google Scholar 

  38. Patchkovskii, S., Zhao, Z., Brabec, T., Villeneuve, D.M.: J. Chem. Phys. 126, 114306 (2007)

    Article  Google Scholar 

  39. Fock, V.Z.: Phys. A: Hadrons Nucl. 61, 126–148 (1930)

    Google Scholar 

  40. Roothaan, C.C.J.: Rev. Mod. Phys. 23, 69–89 (1951)

    Article  CAS  Google Scholar 

  41. Sherrill, C.D.; Schaefer III, H.F.: In: Löwdin, P.-O., Sabin, J.R., Zerner, M.C., Brändas, E. (eds.) Advances in Quantum Chemistry, Vol. 34, pp. 143–269. Academic Press, New York (1999)

    Google Scholar 

  42. Pauli, W.Z.: Phys. A: Hadrons Nucl. 31, 765–783 (1925)

    CAS  Google Scholar 

  43. Pickup, B.T.: Chem. Phys. 19, 193–208 (1977)

    Article  CAS  Google Scholar 

  44. Oana, C.M., Krylov, A.I.: J. Chem. Phys. 127, 234106 (2007)

    Article  Google Scholar 

  45. Meier, C., Engel, V.: J. Chem. Phys. 101, 2673–2677 (1994)

    Article  CAS  Google Scholar 

  46. Arasaki, Y., Takatsuka, K., Wang, K., McKoy, V.: Chem. Phys. Lett. 302, 363–374 (1999)

    Article  CAS  Google Scholar 

  47. Batista, V.S., Zanni, M.T., Greenblatt, B.J., Neumark, D.M., Miller, W.H.: J. Chem. Phys. 110, 3736–3747 (1999)

    Article  CAS  Google Scholar 

  48. Suzuki, Y., Stener, M., Seideman, T.: J. Chem. Phys. 118, 4432–4443 (2003)

    Article  CAS  Google Scholar 

  49. Hudock, H.R., Levine, B.G., Thompson, A.L., Satzger, H., Townsend, D., Gador, N., Ullrich, S., Stolow, A., Martínez, T.J.: J. Phys. Chem. A 111, 8500–8508 (2007)

    Article  CAS  Google Scholar 

  50. Arasaki, Y., Takatsuka, K., Wang, K., McKoy, V.: J. Chem. Phys. 132, 124307 (2010)

    Article  Google Scholar 

  51. Møller, K.B., Henriksen, N.E., Zewail, A.H.: J. Chem. Phys. 113, 10477–10485 (2000)

    Article  Google Scholar 

  52. Gräfe, S., Scheidel, D., Engel, V., Henriksen, N.E., Møller, K.B.: J. Phys. Chem. A 108, 8954–8960 (2004)

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemical Engineering, SUNCAT Center for Interface Science and Catalysis, Stanford University, Stanford, CA, 94305, USA

    Rasmus Y. Brogaard

Authors
  1. Rasmus Y. Brogaard
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Rasmus Y. Brogaard .

Rights and permissions

Reprints and permissions

Copyright information

© 2012 Springer-Verlag Berlin Heidelberg

About this chapter

Cite this chapter

Brogaard, R.Y. (2012). Simulation of Time-Resolved Photoionization Signals. In: Molecular Conformation and Organic Photochemistry. Springer Theses. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-29381-8_4

Download citation

Publish with us

Policies and ethics

Search

Navigation