WavePacket 5.0: A Matlab program package for quantum-mechanical wavepacket propagation and time-dependent spectroscopy
WavePacket 5.0: A Matlab program package for quantum-mechanical wavepacket propagation and time-dependent spectroscopy
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WavePacket 5.0：用于量子力学波包传播和瞬态光谱的 Matlab 程序包
DOI：
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发表时间：
2009
期刊：
影响因子：
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通讯作者：
U. Lorenz
中科院分区：
文献类型：
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作者：
B. Schmidt;U. Lorenz
WavePacket 是一个程序包，用于对可区分粒子的量子力学波包动力学进行数值模拟。它可用于求解一个或多个（即耦合通道）时间无关或时间相关的线性薛定谔方程。 WavePacket 可以选择考虑与外部电场的相互作用（半经典偶极近似），使用超短激光脉冲模拟现代实验。因此，它可以用作光致物理、化学和相关领域的许多模拟任务的灵活工具。扩展的图形功能允许“动态”可视化波包动力学，包括维格纳变换到相空间。 WavePacket 特别适合物理、化学和科学计算领域的量子力学教学。
WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics for distinguishable particles. It can be used to solve one or more (i.e. coupled channels) time-independent or time-dependent linear Schrodinger equations. Optionally accounting for the interaction with external electric fields (semiclassical dipole approximation), WavePacket can simulate modern experiments using ultrashort laser pulses. Thus it can be used as a flexible tool for many simulation tasks in photoinduced physics, chemistry, and in related fields. The extended graphical capabilities allow visualization of wavepacket dynamics 'on the fly', including Wigner transforms to phase space. WavePacket is especially suitable for teaching of quantum mechanics in physics, chemistry, and scientific computing.