Imaging molecular potentials using ultrahigh-resolution resonant photoemission

Nature Physics

Volumn 8, Issue 2, 2012, Pages 135-138

  Miron, Catalin ^a   Nicolas, Christophe ^a   Travnikova, Oksana ^a   Morin, Paul ^a   Sun, Yuping ^b   Gel'Mukhanov, Faris ^b   Kosugi, Nobuhiro ^c   Kimberg, Victor ^a  

^a SYNCHROTRON SOLEIL   (France)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84856603821     PISSN: 17452473     EISSN: 17452481     Source Type: Journal    
DOI: 10.1038/nphys2159     Document Type: Article

References (31)

1. Puschnig, P. et al. Reconstruction of molecular orbital densities from photoemission data. Science 326, 702-706 (2009).
2. Huber, K. P. & Herzberg, G. Molecular Spectra and Molecular Structure, Vol. 4: Constants of Diatomic Molecules (Van Nostrand Reinhold, 1979).
3. Itatani, J. et al. Tomographic imaging of molecular orbitals. Nature 432, 867-871 (2004). (Pubitemid 40037143)
4. Steele, D. & Lippincott, E. R. Comparative study of empirical internuclear potential functions. Rev. Mod. Phys. 34, 239-251 (1962).
5. Prince, K. C. et al. A critical comparison of selected 1s and 2p core hole widths. J. Electron Spectrosc. Related Phenom. 101-103, 141-147 (1999).
6. Travnikova, O. et al. Circularly polarized X rays: Another probe of ultrafast molecular decay dynamics. Phys. Rev. Lett. 105, 233001 (2010).
7. Söderström, J. et al. Angle-resolved electron spectroscopy of the resonant Auger decay in xenon with meV energy resolution. New J. Phys. 13, 073014 (2011).
8. Gel'mukhanov, F. & Ågren, H. Resonant X-ray Raman scattering. Phys. Rep. 312, 87-330 (1999).
9. Piancastelli, M-N. Auger resonant Raman studies of atoms and molecules. J. Electron Spectrosc. Related Phenom. 107, 1-26 (2000).
10. Ueda, K. Core excitation and de-excitation spectroscopies of free atoms and molecules. J. Phys. Soc. Jpn 75, 032001 (2006).
11. Miron, C. & Morin, P. in Handbook of High-Resolution Spectroscopy (eds Quack, M. & Merkt, F.) 1655-1690 (John Wiley, 2011).
12. Miron, C. et al. Nuclear motion driven by the Renner-Teller effect as observed in the resonant Auger decay to the X electronic ground state in N2O. J. Chem. Phys. 115, 864-868 (2001).
13. Miron, C. et al. Mapping potential energy surfaces by core excitation of polyatomic molecules. Chem. Phys. Lett. 359, 48-54 (2002).
14. Miron, C. et al. Vibrational scattering anisotropy generated by multichannel quantum interference. Phys. Rev. Lett. 105, 093002 (2010).
15. Liu, J-C. et al. Multimode resonant Auger scattering from the ethene molecule. J. Phys. Chem. B 115, 5103-5112 (2011).
16. Gel'mukhanov, F. & Ågren, H. X-ray resonant scattering involving dissociative states. Phys. Rev. A 54, 379-393 (1996). (Pubitemid 126583508)
17. Carniato, S. et al. K-L resonant X-ray Raman scattering as a tool for potential energy surface mapping. Chem. Phys. Lett. 439, 402-406 (2007). (Pubitemid 46635407)
18. Lim, T-C. Modification of Morse potential in conventional force fields for applying FPDP parameters. J. Math. Chem. 47, 984-989 (2010).
19. Namioka, T., Yoshino, K. & Tanaka, Y. Isotope bands and the vibration assignment of the D25g A25u system of NC2 . J. Chem. Phys. 39, 2629-2633 (1963).
20. Kosugi, N. & Kuroda, H. Efficient methods for solving the open-shell SCF problem and for obtaining an initial guess. The one-Hamiltonian and the partial SCF methods. Chem. Phys. Lett. 74, 490-493 (1980).
21. Kosugi, N. Strategies to vectorize conventional SCF-Cl algorithms. Theor. Chim. Acta 72, 149-173 (1987).
22. Huzinaga, S. et al. Physical Sciences Data Vol. 16 (Elsevier, 1984).
23. Baltzer, P., Larsson, M., Karlsson, L., Wannberg, B. & Göthe, M-C. Inner-valence states of N2C studied by UV photoelectron spectroscopy and configuration-interaction calculations. Phys. Rev. A 46, 5545-5553 (1992).
24. Langhoff, S. R. & Bauschlicher, C. W. Jr Theoretical study of the first and second negative systems of NC2 . J. Chem. Phys. 88, 329-336 (1988).
25. Honjou, N. & Miyoshi, E. An ab initio study on the electronic structure of the 326Cu , 326Cg and 426Cg states of NC2 . J. Mol. Struct. 451, 41-49 (1998).
26. Yoshii, H., Tanaka, T., Morioka, Y., Hayaishi, T. & Hall, R. I. New N2C electronic state in the region of 23-28 eV. J. Mol. Spectrosc. 186, 155-161 (1997). (Pubitemid 127432743)
27. Aoto, T. et al. Inner-valence states of N2c and the dissociation dynamics studied by threshold photoelectron spectroscopy and configuration interaction calculation. J. Chem. Phys. 124, 234306 (2006).
28. Nicolas, C. et al. Dissociative photoionization of N2 in the 24-32 eV photon energy range. J. Phys. B 36, 2239-2251 (2003).
29. Salłek, P., Gel'mukhanov, F. & Ågren, H. Wave-packet dynamics of resonant x-ray Raman scattering: Excitation near the Cl LII;III edge of HCl. Phys. Rev. A 59, 1147-1159 (1999). (Pubitemid 129309053)
30. Saek, P. A wave-packet technique to simulate resonant X-ray scattering cross sections. Comput. Phys. Commun. 150, 85-98 (2003).
31. Piancastelli, M-N. et al. Electron decay following the N 1s excitation in N2 studied under resonant Raman conditions. J. Electron Spectrosc. Related Phenom. 98-99, 111-120 (1999).