A New Statistical Method for the Determination of Dynamical Features of Molecular Dication Dissociation Processes

A new statistical and stochastical method for the determination of dynamical features of the molecular dication dissociation processes, following the single photon double ionization has been developed. The method is based on an extension of the generalized simulated annealing statistical methodology, previously applied in other fields. The results are consistent with previous determination of the metastable lifetime of the dication, but the analysis also provides additional information about the dynamics of the reaction.

[1]  J. Eland,et al.  Reaction dynamics of three-body dissociations in triatomic molecules from single-photon double ionization studied by a time- and position-sensitive coincidence method , 1997 .

[2]  Marzio Rosi,et al.  Dissociative double photoionization of benzene molecules in the 26-33 eV energy range. , 2011, Physical chemistry chemical physics : PCCP.

[3]  R. Richter,et al.  Double photoionization of CO2 molecules in the 34-50 eV energy range. , 2009, The journal of physical chemistry. A.

[4]  R. Richter,et al.  Dissociative double photoionization of CO2 molecules in the 36-49 eV energy range: angular and energy distribution of ion products. , 2010, Physical chemistry chemical physics : PCCP.

[5]  C. Tsallis,et al.  Generalized simulated annealing , 1995, cond-mat/9501047.

[6]  I. Mclaren,et al.  TIME-OF-FLIGHT MASS SPECTROMETER WITH IMPROVED RESOLUTION , 1955 .

[7]  Modeling of copper–carbon solid solutions , 2000 .

[8]  C. Tsallis,et al.  Geometry optimization and conformational analysis through generalized simulated annealing , 1998 .

[9]  N. Metropolis,et al.  The Monte Carlo method. , 1949 .

[10]  P. Lablanquie,et al.  Spectroscopy and metastability of CO2 2+ molecular ions. , 2005, The Journal of chemical physics.

[11]  Donald Geman,et al.  Stochastic Relaxation, Gibbs Distributions, and the Bayesian Restoration of Images , 1984, IEEE Transactions on Pattern Analysis and Machine Intelligence.

[12]  M. S. P. Mundim,et al.  Dissociative double photoionization of singly deuterated benzene molecules in the 26-33 eV energy range. , 2011, The Journal of chemical physics.

[13]  M. Moret,et al.  New stochastic strategy to analyze helix folding. , 2002, Biophysical journal.

[14]  M. Lavollée,et al.  A new detector for measuring three-dimensional momenta of charged particles in coincidence , 1999 .

[15]  T. Scholl,et al.  A Study of theX2Σ+andA2Π States of SiO+Using Fast-Ion-Beam Laser Spectroscopy , 1998 .

[16]  S. Prasad,et al.  On the importance of doubly charged ions in the auroral ionosphere , 1975 .

[17]  Molecular properties calculations using the q‐integral method , 2008 .

[18]  K. C. Mundim,et al.  GSA algorithm applied to electronic structure: Hartree–Fock–GSA method , 2005 .

[19]  K. C. Mundim,et al.  Non-empirical study of the sliding process in the Σ 3 (1 1 1) grain boundary in tungsten , 2003 .

[20]  Stefano Falcinelli,et al.  Interaction components in the hydrogen halide dications , 2007 .

[21]  Scott Kirkpatrick,et al.  Optimization by simulated annealing: Quantitative studies , 1984 .

[22]  K. C. Mundim,et al.  Performance and parameterization of the algorithm Simplified Generalized Simulated Annealing , 2004 .

[23]  Stefano Falcinelli,et al.  Mass spectrometric study of double photoionization of HBr molecules , 2002 .

[24]  Stefano Falcinelli,et al.  Low-lying electronic states of HBr2+. , 2004, The Journal of chemical physics.

[25]  Thomas A. Field,et al.  Lifetimes of metastable molecular doubly charged ions , 1993 .

[26]  H. Szu.  Fast simulated annealing , 1987 .

[27]  Linus Pauling,et al.  The Normal State of the Helium Molecule-Ions He 2 + and He 2 ++ , 1933 .

[28]  C. D. Gelatt,et al.  Optimization by Simulated Annealing , 1983, Science.

[29]  Stefano Falcinelli,et al.  Threshold-photoelectron-spectroscopy-coincidence study of the double photoionization of HBr. , 2004, The Journal of chemical physics.

[31]  Stefano Falcinelli,et al.  Predicted structure and energetics of HCl2 , 2003 .

[32]  F Biondini,et al.  The double photoionization of HCl: an ion-electron coincidence study. , 2004, The Journal of chemical physics.

[33]  K. C. Mundim,et al.  Modeling diatomic potential energy curves through the generalized exponential function , 2006 .

[34]  P. S. Kreynin,et al.  High resolution spectroscopy and structure of molecular dications , 2003 .

[35]  F. Pirani,et al.  The double photoionization of hydrogen iodide molecules. , 2006, The Journal of chemical physics.

[36]  R. Richter,et al.  Anisotropy of the angular distribution of fragment ions in dissociative double photoionization of N2O molecules in the 30-50 eV energy range. , 2007, The Journal of chemical physics.

[37]  Stefano Falcinelli,et al.  Double photoionization of N2O molecules in the 28–40 eV energy range , 2006 .