Coding Cross Sections of an Electron Charge Transfer Process

The paper presents the algorithm of a code written for computing cross section charge transfer process involving neutral molecule and monatomic ion. entrance exit potential energy surfaces, driving collision dynamics, are computed employing Improved Lennard-Jones function that accounts role non-electrostatic forces, due to size repulsion plus dispersion induction attraction. In addition, electrostatic components, affecting channels, evaluated as sum Coulomb contributions, determined by He$^+$ ion interacting with distribution on molecular frame. is estimated Landau-Zener-St\"uckelberg approach. implemented has been employed in systems helium cation small organic molecule, such methanol, dimethyl ether methyl formate.