相关实验视频
Updated: Jan 15, 2026

06:42
Generation and Coherent Control of Pulsed Quantum Frequency Combs
Published on: June 8, 2018
9.6K
矩阵运动的等级方程产品状态:形式主义和电荷传输的应用
Hengrui Yang1, Zirui Sheng2,3, Liqi Zhou1
1MOE Key Laboratory of Organic Optoelectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing 100084, People's Republic of China.
Journal of chemical theory and computation
|October 16, 2025
概括
我们使用矩阵产品状态 (MPS) 开发了一种新的层次运动方程 (HEOM) 方法,用于模拟分子系统中的载体运输. 这种高效的HEOM + MPS方法在散热环境中提供了准确的量子动力学.
科学领域:
- 量子动力学就是量子动力学.
- 凝聚物质物理学 凝聚物质物理学
- 计算化学是一种计算化学.
背景情况:
- 在分子聚合物中模拟载体运输对于理解能量转移和开发新材料至关重要.
- 电子 - 声子相互作用和玻色子散射显著影响传输特性.
- 像传统的HEOM和热场动力学 (TFD) +MPS等现有方法在准确性或效率方面存在局限性.
研究的目的:
- 开发和验证一种新的等级运动方程 (HEOM) 方法与矩阵产品状态 (MPS) 结合,用于模拟载体运输.
- 严格比较新的HEOM + MPS方法与既有技术.
- 分析散散系统中量子动力学的拟议框架的性能和准确性.
主要方法:
- 在矩阵产品状态 (MPS) 框架内实现层次运动方程 (HEOM) 形式主义.
- 模拟分子聚合物中载体运输的模拟,由电子 - 声波汉密尔顿子和玻色子散射控制.
- 使用时间依赖的人口分析和流动性计算来评估运输属性.
- 与传统的HEOM进行基准测试,并使用TFD+MPS进行比较分析.
主要成果:
- HEOM + MPS 方法展示了载体运输的强大,近乎精确和计算效率高的模拟.
- 与传统的HEOM相比,基准测试证实了新方法的有效性和更高的准确性.
- 与TFD + MPS进行的比较分析揭示了基本的相似之处和差异,突出了HEOM + MPS的优势.
- 引入状态向量空间配置可以提高单电子系统的性能.
结论:
- 开发的HEOM + MPS方法为量子动力学提供了强大而高效的数值工具.
- 这个框架准确地捕捉了分子系统中的载体运输与玻色子散射.
- 该方法在准确性和计算效率方面比现有方法提供了显著的改善.
相关概念视频
Transfer Function to State Space
751
State-space representation is a powerful tool for simulating physical systems on digital computers, necessitating the conversion of the transfer function into state-space form. Consider an nth-order linear differential equation with constant coefficients, like those encountered in an RLC circuit. The state variables are selected as the output and its n−1 derivatives. Differentiating these variables and substituting them back into the original equation produces the state equations.
In an RLC...
In an RLC...
751
State Space Representation
523
The frequency-domain technique, commonly used in analyzing and designing feedback control systems, is effective for linear, time-invariant systems. However, it falls short when dealing with nonlinear, time-varying, and multiple-input multiple-output systems. The time-domain or state-space approach addresses these limitations by utilizing state variables to construct simultaneous, first-order differential equations, known as state equations, for an nth-order system.
Consider an RLC circuit, a...
Consider an RLC circuit, a...
523
Equation of Motion: Center of Mass
641
The equation of motion for a single particle can be expanded to encompass a system of particles consisting of n particles. For any arbitrarily chosen particle within this system, the net force acting upon it is the aggregate of both internal and external forces. Extending this principle to all particles within the system results in the equation of motion for the entire assembly.
Internal forces between any pair of particles manifest as collinear pairs of equal magnitude but opposite directions,...
Internal forces between any pair of particles manifest as collinear pairs of equal magnitude but opposite directions,...
641
Motion Of A Charged Particle In A Magnetic Field
6.7K
A charged particle experiences a force when moving through a magnetic field. Consider the field to be uniform and the charged particle to move perpendicular to it. If the field is in a vacuum, the magnetic field is the dominant factor determining the motion. Since the magnetic force is perpendicular to the direction of motion, a charged particle follows a curved path. The particle continues to follow this curved path until it forms a complete circle. Another way to look at this is that the...
6.7K
Linear Approximation in Time Domain
340
Nonlinear systems often require sophisticated approaches for accurate modeling and analysis, with state-space representation being particularly effective. This method is especially useful for systems where variables and parameters vary with time or operating conditions, such as in a simple pendulum or a translational mechanical system with nonlinear springs.
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length,...
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length,...
340
Multimachine Stability
541
Multimachine stability analysis is crucial for understanding the dynamics and stability of power systems with multiple synchronous machines. The objective is to solve the swing equations for a network of M machines connected to an N-bus power system.
In analyzing the system, the nodal equations represent the relationship between bus voltages, machine voltages, and machine currents. The nodal equation is given by:
In analyzing the system, the nodal equations represent the relationship between bus voltages, machine voltages, and machine currents. The nodal equation is given by:
541

