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Time-dependent lattice methods for ion-atom collisions in Cartesian and cylindrical coordinate systems

机译:直角坐标系和圆柱坐标系中离子原子碰撞的时变格方法

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Time-dependent lattice methods in both Cartesian and cylindrical coordinates are applied to calculate excitation cross sections for p+H collisions at 40 keV incident energy. The time-dependent Schrodinger equation is solved using a previously formulated Cartesian coordinate single-channel method on a full 3D lattice and a newly formulated cylindrical coordinate multichannel method on a set of coupled 2D lattices. Cartesian coordinate single-channel and cylindrical coordinate five-channel calculations are found to be in reasonable agreement for excitation cross sections from the 1s ground state to the 2s, 2p, 3s, 3p, and 3d excited states. For extension of the time-dependent lattice method to handle the two electron dynamics found in p+He collisions, the cylindrical coordinate multichannel method appears promising due to the reduced dimensionality of its lattice.
机译:在笛卡尔坐标系和圆柱坐标系中都采用了与时间有关的晶格方法来计算在40 keV入射能量下p + H碰撞的激发截面。时间依赖型Schrodinger方程是通过在完整的3D晶格上使用先前制定的笛卡尔坐标单通道方法以及在一组耦合的2D晶格上使用新制定的圆柱坐标多通道方法求解的。对于从1s基态到2s,2p,3s,3p和3d激发态的激发截面,发现笛卡尔坐标单通道和圆柱坐标五通道计算是合理一致的。为了扩展时变晶格方法以处理p + He碰撞中发现的两个电子动力学问题,圆柱坐标多通道方法因其晶格尺寸减小而显得很有希望。

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