We study charge transfer of a multi-electron collision system Li^(2+)+ Ar using the time-dependent density functional theory non-adiabatically coupled to the molecular dynamics.By implementing the particle number proj...We study charge transfer of a multi-electron collision system Li^(2+)+ Ar using the time-dependent density functional theory non-adiabatically coupled to the molecular dynamics.By implementing the particle number projection method,the single-and double-charge transfer cross sections are extracted at MeV energies,which are in good agreement with the experimental data available.The analysis of charge transfer probabilities shows that for energies higher than 1.0 MeV,the single-charge transfer occurs for a broader range of impact parameters,while the double-charge transfer is dominated by close collisions.To gain the population of captured electrons on the projectile,we compute the orbital projection probabilities.It is found that the electrons of the Ar atom will most possibly transfer to the 2p orbitals of the Li^(2+),and only a small portion of captured electrons distribute on the s orbitals.This work verifies the capability of the present methodology in dealing with charge transfer in dressed ion collisions at Me V energies.展开更多
The multi-electron capture and loss cross-sections of Ar^(+)-Ne collisions are calculated at absolute energies in the few-keV/a.u.regime.The calculations are performed using a novel inverse collision framework,in the ...The multi-electron capture and loss cross-sections of Ar^(+)-Ne collisions are calculated at absolute energies in the few-keV/a.u.regime.The calculations are performed using a novel inverse collision framework,in the context of a time-dependent density functional theory,combined with molecular dynamics.The extraction of the capture and loss probabilities is based on the particle-number projection technique,originating from nuclear physics,but validly extended to represent many-electron systems.Good agreement between experimental and theoretical data is found,which clearly reveals the non-negligible post-collision decay of the projectile’s electrons,providing further evidence for the applicability of the approach to complex many-electron collision systems.展开更多
基金financially supported by the National Key Research and Development Program of China (Grant No.2017YFA0402300)the National Natural Science Foundation of China (Grant Nos.11774344,11704039,and 12104019)。
文摘We study charge transfer of a multi-electron collision system Li^(2+)+ Ar using the time-dependent density functional theory non-adiabatically coupled to the molecular dynamics.By implementing the particle number projection method,the single-and double-charge transfer cross sections are extracted at MeV energies,which are in good agreement with the experimental data available.The analysis of charge transfer probabilities shows that for energies higher than 1.0 MeV,the single-charge transfer occurs for a broader range of impact parameters,while the double-charge transfer is dominated by close collisions.To gain the population of captured electrons on the projectile,we compute the orbital projection probabilities.It is found that the electrons of the Ar atom will most possibly transfer to the 2p orbitals of the Li^(2+),and only a small portion of captured electrons distribute on the s orbitals.This work verifies the capability of the present methodology in dealing with charge transfer in dressed ion collisions at Me V energies.
基金Supported by the National Key Research and Development Program of China(Grant No.2017YFA0402300)the National Natural Science Foundation of China(Grant Nos.11774344,11704039,11774030,and 11704037)。
文摘The multi-electron capture and loss cross-sections of Ar^(+)-Ne collisions are calculated at absolute energies in the few-keV/a.u.regime.The calculations are performed using a novel inverse collision framework,in the context of a time-dependent density functional theory,combined with molecular dynamics.The extraction of the capture and loss probabilities is based on the particle-number projection technique,originating from nuclear physics,but validly extended to represent many-electron systems.Good agreement between experimental and theoretical data is found,which clearly reveals the non-negligible post-collision decay of the projectile’s electrons,providing further evidence for the applicability of the approach to complex many-electron collision systems.
