Electron?H+3 collisions at intermediate energies
Electron?H+3 collisions at intermediate energies
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中间能量的电子?H 3 碰撞
DOI：
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发表时间：
2004
期刊：
影响因子：
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通讯作者：
J. Tennyson
中科院分区：
文献类型：
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作者：
J. Gorfinkiel;J. Tennyson
提出了一种新的电子-分子碰撞的从头计算方法，其能量跨越靶电离阈值。具有伪态的R矩阵方法允许在紧耦合展开中包含离散的连续态，适用于使用偶数回火基组的分子靶标。电子与H+3分子离子碰撞的计算提供了收敛的极化率、电子激发和电离截面。
A new procedure is presented for the ab initio study of electron?molecule collision at energies straddling the target ionization threshold. The R-matrix with pseudostates method, which allows for the inclusion of discretized continuum states in a close-coupling expansion, is adapted to molecular targets using even-tempered basis sets. Calculations for electron collisions with the H+3 molecular ion provide converged polarizabilities, electronic excitation and ionization cross sections.