Electron-polyatomic Scattering and Simulation of Heat Flow for Reactive Plasma Research

We have constructed computer codes to calculate cross sections for ion-atom collision system involving more than 3 electrons。“Alchemy”is used to obtain electronic energies and wavefunctions of pseude-molecular systems.We adopt Slater type atomic orbitals as basis functions and can obtain results of very high precision by using“Alchemy”。Several codes are made to calclate matrix elements of non-adiabatic coupling terms by using the wavefunctions and to solve coupled equations for a collision system.We calculated electron capture in collision of Al I D12文件D1 with He and He I D12文件D1 with Al by using the codes and obtained more reliable cross sections。Straight line trajectry approximation have been adopted by many investigators.We calculated cross sections with straight trajectory and those with Coulomb trajectry to find large trajectory effect。We also investigated charge tranfer in collision of Si I D 14 I D 1 with He and obtained reasonable cross sections.We will continue investigation of charge transfer for C I D 14 I D 1H，Cl I D 17 ii D 1H and other collision systems by using codes constructed in this research.About ten years ago，we made computer codes of continuum multiple scattering method for electron-polyatomic collision research.We developed research of electron scattering with polyatomic molecules，such as CHY D24 IED2，CH ID23 D2F，CH ID22 D2F D22 ID2，CHF D23 D23 D2D D2，CF D24 D2，CO D22 D2，C D22 D2H D22 D2，C D23 D2 D2H D2，and C D23 D2，and C D23 D2，and C D 23 D 2 F D 2 D 28 D 2，and C D 23 D 2 F D 28 D 2，C D 2，C D 2 D 2，C D 2，D 2 F D 2，C D 2，D 2 F D 2 D 28 D 2，D 2 F D 2，C D 22 D 2 D 2，C D 23 D 2 D 2，and C D 23 D 2，D 2 F D 2，D 2 F D 2，C D 22 D 2，C D 23 D 2 D 2，C D 23 D 2 D 2，and C D 23 D 2，and C D 23 D 2，D 2Results of the researches were published in several journals.We put emphasis on researches of electronic and atomic collisions at this time and only investigated numerical simulation of heat flow of reactive plasma research.Other research group is developing simulation codes。We have a plan to make joint researches into the group.

We have constructed computer codes to calculate cross sections for ion-atom collision system involving more than 3 electrons. "Alchemy" is used to obtain electronic energies and wavefunctions of pseude-molecular systems. We adopt Slater type atomic orbitals as basis functions and can obtain results of very high precision by using "Alchemy". Several codes are made to calclate matrix elements of non-adiabatic coupling terms by using the wavefunctions and to solve coupled equations for a collision system.We calculated electron capture in collision of AlィイD12+ィエD1 with He and HeィイD12+ィエD1 with Al by using the codes and obtained more reliable cross sections. Straight line trajectry approximation have been adopted by many investigators. We calculated cross sections with straight trajectory and those with Coulomb trajectry to find large trajectory effect. We also investigated charge tranfer in collision of SiィイD14+ィエD1 with He and obtained reasonable cross sections. We will continue investigation of charge transfer for CィイD14+ィエD1 + H, ClィイD17+ィエD1 + H and other collision systems by using codes constructed in this research.About ten years ago, we made computer codes of continuum multiple scattering method for electron-polyatomic collision research. We developed research of electron scattering with polyatomic molecules, such as CHィイD24ィエD2, CHィイD23ィエD2F, CHィイD22ィエD2FィイD22ィエD2, CHFィイD23ィエD2, CFィイD24ィエD2, COィイD22ィエD2, CィイD22ィエD2HィイD22ィエD2, CィイD23ィエD2HィイD28ィエD2, and CィイD23ィエD2FィイD28ィエD2, using the code and other codes made thereafter. Results of the researches were published in several journals.We put emphasis on researches of electronic and atomic collisions at this time and only investigated numerical simulation of heat flow of reactive plasma research. Other research group is developing simulation codes . We have a plan to make joint researches into the group.