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严运安

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供职机构:贵州师范学院贵州省纳米材料模拟与计算重点实验室更多>>
发文基金:国家自然科学基金更多>>
相关领域:理学更多>>

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Low-Storage Runge-Kutta Method for Simulating Time-Dependent Quantum Dynamics
2017年
A wide range of quantum systems are time-invariant and the corresponding dynamics is dic- tated by linear differential equations with constant coefficients. Although simple in math- ematical concept, the integration of these equations is usually complicated in practice for complex systems, where both the computational time and the memory storage become limit- ing factors. For this reason, low-storage Runge-Kutta methods become increasingly popular for the time integration. This work suggests a series of s-stage sth-order explicit Runge- Kutta methods specific for autonomous linear equations, which only requires two times of the memory storage for the state vector. We also introduce a 13-stage eighth-order scheme for autonomous linear equations, which has optimized stability region and is reduced to a fifth-order method for general equations. These methods exhibit significant performance improvements over the previous general-purpose low-stage schemes. As an example, we ap- ply the integrator to simulate the non-Markovian exciton dynamics in a 15-site linear chain consisting of perylene-bisimide derivatives.
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