Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics

Collision of water molecule by alpha particle. Time-Dependent Density Functional Theory simulations.

- Collision of gas phase H₂O with 100 MeV alpha particle. ELF isosurface of 0.88.

Full duration of movie: 5fs.  1E2MeV_H2O_view1.mpeg

- Collision of gas phase H₂O with 1 MeV alpha particle. ELF isosurface of 0.88.

Full duration of movie: 5fs. 1E0MeV_H2O_view1.mpeg

- Collision of gas phase H₂O with 0.1 MeV alpha particle. ELF isosurface of 0.88.

Full duration of movie: 5fs. 1E-1MeV_H2O_view1.mpeg

- Collision of gas phase H₂O with 0.05 MeV alpha particle. ELF isosurface of 0.88.

Full duration of movie: 5fs. 5E-2MeV_H2O_view1.mpeg

- Collision of gas phase H₂O with 0.01 MeV alpha particle. ELF isosurface of 0.88.

Full duration of movie: 5fs. 1E-2MeV_H2O_view1.mpeg

Collision of guanine molecule by alpha particle. Time-Dependent Density Functional Theory simulations.

Color code: Carbon in green, oxygen in red, nitrogen in blue, hydrogen and alpha particle in white. The ELF attractor are shown in yellow.

- Collision of gas phase guanine with 1 MeV alpha particle. ELF isosurface of 0.8.  Case i) the alpha particle impacts the central C=C bond. Full duration of movie: 430as. 

gua_1MeV_C=C_view1.mpeg, gua_1MeV_C=C_view2.mpeg

- Collision of gas phase guanine with 1 MeV alpha particle. ELF isosurface of 0.8.  Case ii) the alpha particle impact the 6-member ring N atom. Full duration of movie: 430as. 

gua_1MeV_6RN_view1.mpeg, gua_1MeV_6RN_view2.mpeg