双荷子系统运动的经典解

根据力学理论和经典电磁理论研究双荷子系统的运动.列出双荷子系统的运动微分方程,导出运动积分,说明系统的对称性,包括SO(4)对称性;利用变分法逆问题方法,构造双荷子系统的Lagrange(拉格朗日)函数和Hamilton(哈密顿)函数;解出双荷子系统的运动规律.     

太阳帆塔轨道和姿态耦合动力学建模及辛求解

在建立太阳帆塔太阳能电站简化模型的基础上,将系统的动力学方程从Lagrange体系导入到了Hamilton体系,给出了带约束的Hamilton正则方程;进而采用祖冲之类算法和辛Runge-Kutta方法分析了太阳帆塔轨道和姿态耦合系统的动力学特性,并讨论了算法的保能量、保约束特性;最后,数值模拟了系统的动力学特性,说明了所提方法的有效性.     

Diabatic investigation for the NaRb molecule

An extensive diabatic investigation of the NaRb species has been carried out for all excited states up to the ionic limit Na^‐Rb⁺. An ab initio calculation founded on the pseudopotential, core polarization potential operators and full configuration interaction has been used with an efficient diabatization method involving a combination of variational effective hamiltonian theory and an effective overlap matrix. Diabatic potential energy curves and electric dipole moments (permanent and transition) for all the symmetries Σ⁺, Π, and Δ have been studied for the first time. Thanks to a unitary rotation matrix, the examination of the diabatic permanent dipole moment (PDM) has shown the ionic feature clearly seen in the diabatic ¹Σ⁺ potential curves and confirming the high imprint of the Na^‐Rb⁺ ionic state in the adiabatic representation. Diabatic transition dipole moments have also been computed. Real crossings have been shown for the diabatic PDM, locating the avoided crossings between the corresponding adiabatic energy curves.     

Low-Storage Runge-Kutta Method for Simulating Time-Dependent Quantum Dynamics

A wide range of quantum systems are time-invariant and the corresponding dynamics is dictated by linear differential equations with constant coefficients.Although simple in mathematical concept,the integration of these equations is usually complicated in practice for complex systems,where both the computational time and the memory storage become limiting 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 RungeKutta 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 apply the integrator to simulate the non-Markovian exciton dynamics in a 15-site linear chain consisting of perylene-bisimide derivatives.     

Hamiltonicity of edge chromatic critical graphs

Vizing conjectured that every edge chromatic critical graph contains a 2-factor. Believing that stronger properties hold for this class of graphs, Luo and Zhao (2013) showed that every edge chromatic critical graph of order $n$ with maximum degree at least $\frac{6n}{7}$ is Hamiltonian. Furthermore, Luo et al. (2016) proved that every edge chromatic critical graph of order $n$ with maximum degree at least $\frac{4n}{5}$ is Hamiltonian. In this paper, we prove that every edge chromatic critical graph of order $n$ with maximum degree at least $\frac{3n}{4}$ is Hamiltonian. Our approach is inspired by the recent development of Kierstead path and Tashkinov tree techniques for multigraphs.     

Embedded Surfaces for Symplectic Circle Actions

The purpose of this article is to characterize symplectic and Hamiltonian circle actions on symplectic manifolds in terms of symplectic embeddings of Riemann surfaces.More precisely, it is shown that(1) if(M, ω) admits a Hamiltonian S~1-action, then there exists a two-sphere S in M with positive symplectic area satisfying c1(M, ω), [S] 0,and(2) if the action is non-Hamiltonian, then there exists an S~1-invariant symplectic2-torus T in(M, ω) such that c1(M, ω), [T] = 0. As applications, the authors give a very simple proof of the following well-known theorem which was proved by Atiyah-Bott,Lupton-Oprea, and Ono: Suppose that(M, ω) is a smooth closed symplectic manifold satisfying c1(M, ω) = λ· [ω] for some λ∈ R and G is a compact connected Lie group acting effectively on M preserving ω. Then(1) if λ 0, then G must be trivial,(2) if λ = 0, then the G-action is non-Hamiltonian, and(3) if λ 0, then the G-action is Hamiltonian.     

Exploring artificial neural networks to model interatomic and intermolecular potential energy surfaces

We demonstrate how a back-propagation artificial neural network can be trained to represent a potential energy surface (PES) in a formless manner with limited data points and exploited to predict interaction energies for configurations not included in the training set. A similar exercise is undertaken for predicting the eigenvalues and eigenvectors of a model Hamiltonian matrix that delicately depends on parameters and exhibits crossing of eigen values.     

Energy and Quadratic Invariants Preserving Methods for Hamiltonian Systems with Holonomic Constraints

We introduce a new class of parametrized structure--preserving partitioned Runge-Kutta ($\alpha$-PRK) methods for Hamiltonian systems with holonomic constraints. The methods are symplectic for any fixed scalar parameter $\alpha$, and are reduced to the usual symplectic PRK methods like Shake-Rattle method or PRK schemes based on Lobatto IIIA-IIIB pairs when $\alpha=0$. We provide a new variational formulation for symplectic PRK schemes and use it to prove that the $\alpha$-PRK methods can preserve the quadratic invariants for Hamiltonian systems subject to holonomic constraints. Meanwhile, for any given consistent initial values $(p_{0}, q_0)$ and small step size $h>0$, it is proved that there exists $\alpha^*=\alpha(h, p_0, q_0)$ such that the Hamiltonian energy can also be exactly preserved at each step. Based on this, we propose some energy and quadratic invariants preserving $\alpha$-PRK methods. These $\alpha$-PRK methods are shown to have the same convergence rate as the usual PRK methods and perform very well in various numerical experiments.     

Chaotic motion in a class of asymmetrical Kelvin type gyrostat satellite

This work is an investigation on the roots of chaotic attitudinal motion in a class of asymmetrical gyrostat satellites. The result shows that for a class of Kelvin type gyrostat satellite, there is an equivalent rigid spinning satellite with the same attitude dynamics. Finding some constants of motion and eliminating the cyclic coordinates, the rotational kinetic energy is changed to a quadratic form and using Jordan canonical form of the associated inertia tensor and transforming the coordinate system, the Hamiltonian has been changed to those of a rigid satellite. The Hamiltonian has been split into integrable and non-integrable parts. Using Deprit canonical transformation and Andoyer variables the integrable part has been reduced to a one-dimensional form. The reduced Hamiltonian shows that the regular dynamics of the satellite can be chaotic, under the influence of gravitational effects. To demonstrate various attitudinal dynamics of the satellite, a second-order Poincaré map is employed. This research shows firstly, that the attitudinal dynamics of Kelvin type gyrostat satellites and rigid satellites follow the same dynamical patterns, secondly, for non-linear analysis of dynamics of gyrostat satellite based on the perturbation methods, there is a preferable form for Hamiltonian of the system in the near-integrable fashion and thirdly the chaotic motion is originated from the gravitational field effects that can be suppressed by increasing the attitudinal energy of the satellite in comparison with the translational energy.     

Subharmonics for First Order Convex Nonautonomous Hamiltonian Systems

In this paper new estimates on the C ⁰-norm of solutions are shown for first order convex Hamiltonian systems possessing super-quadratic potentials. Applying these estimates, some new results on the existence of subharmonics are obtained, which generalize the main results in Ekeland and Hofer [5], and a question about a priori estimates on subharmonics raised by Ekeland and Hofer [5] is answered when the convex Hamiltonian systems have globally super-quadratic potentials. Using the uniform estimates on the subharmonics, the behavior of convergence of subharmonics is studied too.