Ant colony optimization(ACO),a global optimization method,is proposed to analyze ground state energy of quantum mechanical systems.It simulates the way that real ants find a shortest path from nest to food source and back.In order to reduce iterations and improve solutions,ACO algorithm for ground state energy is modified.The proposed method exhibits advantage compared with traditional variation method.Ground state energy of helium atom and hydrogenic donors in GaAs-(Ga,Al)As quantum dot are calculated.The algorithm is demonstrated via comparison with variational method and genetic algorithms (GAs).

The various order explicit schemes based on exponential fitting and Newton interpolants are constructed for partial differential equations.The various precision can be achieved by employing the various order explicit schemes.When the schemes are applied to heat transport equations at the microscale and strong transient heat transport in thin film,the effects are admirable.Numerical calculations show the present method is high accurate and computationally efficient.

Common formulae for the free-order explicit multistep method of precise time integration are proposed. When the higher order explicit algorithms of precise time integration are applied for calculating the ray equation and the classical trajectories of diatomic system, the effect is admirable. The numerical results reveal that the pressent method is higher accurated and efficient, capable of keeping computational stability for long time simulation, and suitable for higher order numerical computation.

DV-X_α method,is applied for calculating the Electronic structure and Magnetic properties of YFe₁₂,which is an ideal structure of ThMn₁₂.The result shows that this method has satisfactory advantages on the theoretic of magnetic material.