氢分子离子在库仑爆炸中核动力学的同位素效应

摘要

The Coulomb explosion nuclear kinetic-energy-release spectra of H 2+and HD +in various initial vibra-tional states are theoretically simulated by numerically solving the one-dimensional time-dependent Schrödinger e-quation in non Born-Oppenheimer approximation.The isotopic effect of H 2+in the above Coulomb explosion in-vestigated by paying close attention to the comparative analysis of peak locations in the Coulomb explosion nucle -ar kinetic-energy-release spectra of H 2+and HD +.The numerical results interpret that the effect depends largely on the selection of the initial vibrational states.Furthermore, it is the special isotopic effect case at the vibration state ν=5.%在非Born－Oppenheimer近似条件下，通过数值求解一维含时薛定谔方程，理论模拟了H2＋和HD＋在相同激光条件、相同的核初始振动态条件下的库仑爆炸核动能释放谱。通过比较H2＋和HD＋库仑爆炸核动能释放谱中谱峰值位置的相对变化，研究了H2＋在库仑爆炸中核动力学的同位素效应。数值结果表明：同位素效应在很大程度上依赖于分子离子核初始振动态的选取；特别当初始振动态v＝5时，出现了特殊的同位素效应。