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 o...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.展开更多
The present study deals with the introduction of an alteration in Legendre wavelets method by availing of the Picard iteration method for system of differential equations and named it Legendre wavelet-Picard method （...The present study deals with the introduction of an alteration in Legendre wavelets method by availing of the Picard iteration method for system of differential equations and named it Legendre wavelet-Picard method （LWPM）. Convergence of the proposed method is also discussed. In order to check the competence of the proposed method, basic enzyme kinetics is considered. Systems of nonlinear ordinary differential equations are formed from the considered enzyme-substrate reaction. The results obtained by the proposed LWPM are compared with the numerical results obtained from Runge-Kutta method of order four （RK-4）. Numerical results and those obtained by LWPM are in excellent conformance, which would be explained by the help of table and figures. The proposed method is easy and simple to implement as compared to the other existing analytical methods used for solving systems of differential equations arising in biology, physics and engineering.展开更多
基金This work is supported by the National Natural Science Foundation of China （No.21373064）, the Program for Innovative Research Team of Guizhou Province （No.QKTD[2014]4021）, and the Natural Sci- entific Foundation from Guizhou Provincial Department of Education （No.ZDXK[2014]IS）. All the calculations were performed at Guizhou Provincial High- Performance Computing Center of Condensed Mate- rials and Molecular Simulation in Guizhou Education University.
文摘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.
文摘The present study deals with the introduction of an alteration in Legendre wavelets method by availing of the Picard iteration method for system of differential equations and named it Legendre wavelet-Picard method （LWPM）. Convergence of the proposed method is also discussed. In order to check the competence of the proposed method, basic enzyme kinetics is considered. Systems of nonlinear ordinary differential equations are formed from the considered enzyme-substrate reaction. The results obtained by the proposed LWPM are compared with the numerical results obtained from Runge-Kutta method of order four （RK-4）. Numerical results and those obtained by LWPM are in excellent conformance, which would be explained by the help of table and figures. The proposed method is easy and simple to implement as compared to the other existing analytical methods used for solving systems of differential equations arising in biology, physics and engineering.
