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Selected References

from the Theoretical Chemistry Group at the University of Heidelberg

This documents contains all references with the following properties:
Author:  "schirmer", Title:  (any), Journal:  (any), Year:  "2000|2001|2002|2003|2004|2005|2006|2007|2008|2009|2010".
  1. J. Schirmer
    Phys. Rev. A 82 (2010), 052510
    Modifying the variational principle in the action−integral−functional derivation of time−dependent density−functional theory
  2. V. Feyer, O. Plekan, R. Richter, M. Coreno, M. de Simone, K. C. Prince, A. B. Trofimov, I. L. Zaytseva and J. Schirmer
    J. Phys. Chem. A 114 (2010), 10270
    Tautomerism in cytosine and uracil: A theoretical and experimental X−ray absorption and resonant Auger study
  3. I. L. Zaytseva, A. B. Trofimov, J. Schirmer, O. Plekan, V. Feyer, R. Richter, M. Coreno and K. C. Prince
    J. Phys. Chem. A 113 (2009), 15142
    Theoretical and experimental study of valence−shell ionization spectra of guanine
  4. J. Schirmer and F. Mertins
    Theor. Chem. Acc. 125 (2009), 145
    Review of biorthogonal coupled cluster representations for electronic excitation
  5. O. Plekan, V. Feyer, R. Richter, M. Coreno, G. Vall−Illosera, K. C. Prince, A. B. Trofimov nd I. L. Zaytseva, T. E. Moskovskaya, E. V. Gromov and J. Schirmer
    J. Phys. Chem. A 113 (2009), 9376
    An experimental and theoretical core−level study of tautomerism in guanine
  6. V. Feyer, O. Plekan, R. Richter, M. Coreno, G. Vall−Illosera, K. C. Prince, A. B. Trofimov, I. L. Zaytseva, T. E. Moskovskaya, E. V. Gromov and J. Schirmer
    J. Phys. Chem. A 113 (2009), 5736
    Tautomerism in Cytosin and Uracil: An experimental and theoretical core level spectroscopic study
  7. I. Baldea, L. S. Cederbaum and J. Schirmer
    Eur. Phys. J. B 69 (2009), 251
    Intriguing electron correlation effects in the photoionization of metallic quantum−dot nanorings
  8. J. Schirmer and A. Dreuw
    Phys. Rev. A 78 (2008), 056502 1−4
    Reply to "Comment on 'Critique of the foundations of time−dependent density−functional theory'"
  9. O. Plekan, V. Feyer, R. Richter, M. Coreno, M. de Simone, K. C. Prince, A. B. Trofimov, E. V. Gromov, I. L. Zaytseva and J. Schirmer
    Chem. Phys. 347 (2008), 360−375
    A theoretical and experimental study of the near edge X−ray absorption fine structure (NEXAFS) and X−ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine
  10. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov and J. Schirmer
    Chem. Phys. 353 (2008), 47−58
    A study of the valence shell electronic structure of uracil and the methyluracils
  11. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov and J. Schirmer
    Chem. Phys. 352 (2008), 205−216
    A study of the valence shell electronic structure of the 5−halouracils
  12. J. Schirmer and A. Dreuw
    Phys. Rev. A 75 (2007), 022513
    Critique of the foundations of time−dependent density−functional theory
  13. I. Powis, I. L. Zaytseva, A. B. Trofimov, J. Schirmer, D. M. P. Holland, A. W. Potts and L. Karlsson
    J. Phys. B 40 (2007), 2019
    A study of the valence shell electronic structure and photoionization dynamics of selenophene
  14. I. Baldea, B. Schimmelpfennig, M. Plaschke, J. Rothe, J. Schirmer, A. B. Trofimov and T. Fanghänel
    J. Electron Spectrosc. Relat. Phenom. 154 (2007), 109−118
    C1s near edge X−ray absorption fine structure (NEXAFS) of substituted benzoic acids − A theoretical and experimental study
  15. A. B. Trofimov, J. Schirmer, V. B. Kobychev, A. W. Potts, D. M. P. Holland and L. Karlsson
    J. Phys. B 39 (2006), 305
    Photoelectron spectra of the nucleobases cytosine, thymine and adenine
  16. A. B. Trofimov, I. L. Krivdina, J. Weller and J. Schirmer
    Chem. Phys. 329 (2006), 1
    Algebraic−diagrammatic propagator approach to molecular response properties
  17. J. H. Starcke, M. Wormit, J. Schirmer and A. Dreuw
    Chem. Phys. 329 (2006), 39
    How much double excitation character do the lowest excited states of linear polyenes have?
  18. A. B. Trofimov and J. Schirmer
    J. Chem. Phys. 123 (2005), 144115\1−15
    Molecular ionization energies and ground− and ionicstate properties using a non−Dyson electron propagator approach
  19. I. Powis, J. D. Thrower, A. B. Trofimov, T. E. Moskovskaya, J. Schirmer, A. W. Potts, M. P. Holland, F. Bruhn and L. Karlsson
    Chem. Phys. 315 (2005), 121−132
    An experimental and theoretical study of the photoelectron spectrum of hydrogen selenide
  20. M. P. Holland, A. W. Potts, A. B. Trofimov, J. Breidbach, J. Schirmer, R. Feifel, T. Richter, K. Godehusen, M. Martins, A. Tutay, M. Yalcinkaya, M. Al−Hada, S. Eriksson and L. Karlsson
    Chem. Phys. 308 (2005), 543−57
    An experimental and theoretical study of the valence shell photoelectron spectrum tetrafluoromethane
  21. P. Schmelcher and J. Schirmer
    in: Encyclopedia of Nonlinear Science, ed. A. Scott, Fitzroy Dearborn, London (2004)
    Hartree Approximation
  22. J. Schirmer and A. B. Trofimov
    J. Chem. Phys. 120 (2004), 11449−11464
    Intermediate state representation approach to physical properties of electronically excited molecules
  23. M. P. Holland, I. Powis, L. Karlsson, A. B. Trofimov, J. Schirmer and W. von Niessen
    Chem. Phys. 297 (2004), 55
    A study of the photoinization dynamics of the cyanogen halides
  24. E. V. Gromov, A. B. Trofimov, N. M. Vitkovskaya, H. Köppel, J. Schirmer, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 4585
    Theoretical study of excitations in furan: Spectra and molecular dynamics
  25. A. B. Trofimov, E. V. Gromov, H. Köppel, J. Schirmer, K. C. Prince, R. Richter, M. De Simone and M. Coreno
    J. Phys. B 36 (2003), 3805−3816
    A theoretical study of the 1B1(O1s→π*) and 1A1(O1s→3s) excited states of formaldehyde
  26. A. Thiel, J. Schirmer and H. Köppel
    J. Chem. Phys. 119 (2003), 2088−2101
    An intermediate state representation approach to K−shell ionization in molecules. II. Computational tests
  27. A. W. Potts, D. M. P. Holland, A. B. Trofimov, J. Schirmer, L. Karlsson and K. Siegbahn
    J. Phys. B 36 (2003), 3129
    An experimental and theoretical study of the valence shell photoelectron spectra of purine and pyrimidine molecules
  28. E. V. Gromov, A. B. Trofimov, N. M. Vitkovskaya, J. Schirmer and H. Köppel
    J. Chem. Phys. 119 (2003), 737−753
    Theoretical study of the low−lying excited singlet states of furan
  29. A. B. Trofimov, G. Stelter and J. Schirmer
    J. Chem. Phys. 117 (2002), 6402
    Electron excitation energies using a consistent third−order propagator approach: Comparison with full configuration interaction and coupled cluster results
  30. A. B. Trofimov, J. Schirmer, D. M. P. Holland, A. W. Potts, L. Karlsson, R. Maripuu and K. Siegbahn
    J. Phys. B 35 (2002), 5051
    The influence of electron correlation and relativistic effects on the valence shell photoelectron spectrum of iodothiophene
  31. D. M. P. Holland, A. W. Potts, L. Karlsson, A. B. Trofimov and J. Schirmer
    J. Phys. B 35 (2002), 1741
    The influence of shape resonance phenomena on the valence shell photoionization dynamics of silicon tetrafluoride
  32. A. B. Trofimov, J. Schirmer, D. M. P. Holland, L. Karlsson, R. Maripuu, K. Siegbahn and A. W. Potts
    Chem. Phys. 263 (2001), 167
    An experimental and theoretical study of the valence shell photoelectron spectra of thiophene, 2−chlorothiophene and 3−chlorothiophene
  33. A. B. Trofimov, T. E. Moskovskaya, E. V. Gromov, H. Köppel and J. Schirmer
    Phys. Rev. A 64 (2001), 022504
    Theoretical study of K−shell excitations in formaldehyde
  34. J. Schirmer and A. Thiel
    J. Chem. Phys. 115 (2001), 10621
    An intermediate state representation approach to K−shell ionization in molecules. I. Theory
  35. A. W. Potts, A. B. Trofimov, J. Schirmer, D. M. P. Holland and L. Karlsson
    Chem. Phys. 271 (2001), 337
    An experimental and theoretical study of the valence shell photoelectron spectra of 2−bromothiophene and 3−bromothiophene
  36. A. B. Trofimov, E. V. Gromov, T. E. Moskovskaya and J. Schirmer
    J. Chem. Phys. 113 (2000), 6716
    Theoretical evidence for a bound doubly−excited 1B2(C1s,n→π*2) state in H2CO below the C1s ionization threshold
  37. D. M. P. Holland, D. A. Shaw, L. Karlsson, L. G. Shpinkova, L. Cooper, A. B. Trofimov and J. Schirmer
    Molecular Phys. 98 (2000), 1939
    An experimental and theoretical investigation of the valence shell photoelectron spectrum of cyanogen chloride