Dynamics of Coulomb explosion and kinetic energy release in clusters of heterocyclic compounds

2002 ◽  
Vol 116 (9) ◽  
pp. 3554-3567 ◽  
Author(s):  
D. A. Card ◽  
E. S. Wisniewski ◽  
D. E. Folmer ◽  
A. W. Castleman
Keyword(s):  
Kinetic Energy ◽  
Energy Release ◽  
Heterocyclic Compounds ◽  
Kinetic Energy Release ◽  
Coulomb Explosion

scholarly journals Kinetic-energy release in Coulomb explosion of metastable C3H52+

2003 ◽  
Vol 118 (7) ◽  
pp. 3090-3095 ◽  
Author(s):  
K. Głuch ◽  
J. Fedor ◽  
S. Matt-Leubner ◽  
O. Echt ◽  
A. Stamatovic ◽  
...  
Keyword(s):  
Kinetic Energy ◽  
Energy Release ◽  
Kinetic Energy Release ◽  
Coulomb Explosion

Isotope effects on kinetic energy release. Elimination of CH4 from [CH3CHOH]+ and [CH2OCH3]+

1989 ◽  
Vol 93 (2) ◽  
pp. 215-223 ◽  
Author(s):  
Kevin F. Donchi ◽  
Einar Uggerud ◽  
Georg Hvistendahl ◽  
Peter J. Derrick
Keyword(s):  
Kinetic Energy ◽  
Energy Release ◽  
Isotope Effects ◽  
Kinetic Energy Release

scholarly journals Toward fully quantum modelling of ultrafast photodissociation imaging experiments. Treating tunnelling in the ab initio multiple cloning approach

2016 ◽  
Vol 194 ◽  
pp. 81-94 ◽  
Author(s):  
Dmitry V. Makhov ◽  
Todd J. Martinez ◽  
Dmitrii V. Shalashilin
Keyword(s):  
Kinetic Energy ◽  
Ab Initio ◽  
Energy Release ◽  
Kinetic Energy Release ◽  
Total Kinetic Energy ◽  
Recent Effort ◽  
Experimental Measurements ◽  
Quantum Level ◽  
Hydrogen Atoms ◽  
Quantum Simulations

We present an account of our recent effort to improve simulation of the photodissociation of small heteroaromatic molecules using the Ab Initio Multiple Cloning (AIMC) algorithm. The ultimate goal is to create a quantitative and converged technique for fully quantum simulations which treats both electrons and nuclei on a fully quantum level. We calculate and analyse the total kinetic energy release (TKER) spectra and Velocity Map Images (VMI), and compare the results directly with experimental measurements. In this work, we perform new extensive calculations using an improved AIMC algorithm that now takes into account the tunnelling of hydrogen atoms. This can play an extremely important role in photodissociation dynamics.

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