The Study Of The Collision Of Protons And Nitrogen Molecules

Heavy particle collisions are important in atomic and molecular physics,astrophysics,plasma physics and controlled nuclear fusion,the collision processes include excitation,ionization,charge transfer,and electron loss.There are some branches in heavy particle collisions,such as ion-atomic collision,ion-molecular collision,etc.,the ion-molecular collision process is particularly important.The process of ion-molecule collision is very complex,multiple reaction channels(such as electron loss,charge transfer,electron ionization,etc.)are included,and complex dynamic processes(such as multi-electron correlation,multi-channel competition,and multi-body coupling)are involved.Therefore,the accurate calculation on collision cross section is one of the great challenges for theoretical researchers.Based on time-dependent density functional theory(TDDFT)molecular dynamics model,the charge transfer,electron loss and electron ionization process of proton and nitrogen molecules collision are studied in this paper.The characteristics of the method are as follow.Firstly,the movement of electron is described with quantum density functional theory,the motion of ion is described by classical Newton equation,and the single particle wave function is constructed with real space uniform grid.Secondly,the interaction between electrons and ions is described with conservation constraint potential,the electronic of ion feedback effects between self-consistent coupling is handled with Ehrenfest's method.Thirdly,the time evolution of time-dependent kohn-sham equation is performed by means of time inversion symmetry method,the ionized electrons in the collision reaction process are processed by simulating the adjustable absorption potential at the space boundary.As for the charge transfer process,the coordinate space translation technique is used to deal with the rearrangement of the incident ions and target molecules at the end of the collision.In this paper,the protons and nitrogen molecule collision reaction process with 4 keV,10 keV,40 keV and 100 keV energy are studied.The charge transfer process,losses and electronic ionization collision cross section are calculated,and the variation rules of collision probability,collision cross section and electron density with different energy and different risk parameters are analyzed.The calculation results obtained in this work is limited,however,they agree well with the experimental data.