Elastic electron scattering by ethyl vinyl ether

Khakoo, M. A.; Liang, Hong; Kim, B.; Winstead, Carl; McKoy, Vincent

doi:10.1103/physreva.81.022720

Cited by 4 publications

(1 citation statement)

References 37 publications

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“…For instance, stationary-state scattering theories within the fixed nuclear approximation have been well developed for molecular photoionization 24 and electron scattering from polyatomic molecules. 25 These scattering phenomena are quite important, since they are widely found in nature and even in industrial applications using plasma processes.…”

Section: 23mentioning

confidence: 99%

Exploring dynamical electron theory beyond the Born–Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field

Takatsuka

Yonehara

2011

Phys. Chem. Chem. Phys.

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Chemical theory and its application to dynamical electrons in molecules under intense electromagnetic fields is explored, in which we take an explicit account of nuclear nonadiabatic (kinematic) interactions along with simultaneous coupling with intense optical interactions. All the electronic wavefunctions studied here are necessarily time-dependent, and thereby beyond stationary state quantum chemistry based on the Born-Oppenheimer framework. As a general and tractable alternative framework with which to track the electronic and nuclear simultaneous dynamics, we propose an on-the-fly method to calculate the electron and nuclear wavepackets coupled along the branching non-Born-Oppenheimer paths, through which their bifurcations, strong quantum entanglement between nuclear electronic motions, and coherence and decoherence among the phases associated with them are properly represented. Some illustrative numerical examples are also reported, which are aimed at our final goals; real time tracking of nonadiabatic electronic states, chemical dynamics in densely degenerate electronic states coupled with nuclear motions and manipulation and/or creation of new electronic states in terms of intense lasers, and so on. Other examples are also presented as to how the electron wavepacket dynamics can be used to analyze chemical reactions, shedding a new light on some typical and conventional chemical reactions such as proton transfer followed by tautomerization.

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Section: 23mentioning

confidence: 99%

Exploring dynamical electron theory beyond the Born–Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field

Takatsuka

Yonehara

2011

Phys. Chem. Chem. Phys.

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Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer Paradigm

2011

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Dynamic interaction potential and the scattering cross sections of the semiclassical plasma particles

2013

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The dynamic model of the charged particles interaction in non-ideal semiclassical plasma is presented. This model takes into account the quantum mechanical diffraction effect and the dynamic screening effect. On the basis of the dynamic interaction potential, the electron scattering cross sections are investigated. Comparison with the results obtained on the basis of other models and conclusions were made.

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Elastic electron scattering by ethyl vinyl ether

Cited by 4 publications

References 37 publications

Exploring dynamical electron theory beyond the Born–Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field

Exploring dynamical electron theory beyond the Born–Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field

Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer Paradigm

Dynamic interaction potential and the scattering cross sections of the semiclassical plasma particles

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