Quantum and variational monte-carlo interaction potentials for li2 (x1-sigma-g+)

Optimized trial functions are used in quantum Monte Carlo and variational Monte Carlo calculations of the Li₂(X ¹Σ⁺_g) potential curve. The trial functions used are a product of a Slater determinant of molecular orbitals multiplied by correlation functions of electron—nuclear and electron—electron separation. The parameters of the determinant and correlation functions are optimized simultaneously by reducing the deviations of the local energy E_L (E_L  Ψ⁻¹_THΨ_T, where Ψ_T denotes a trial function) over a fixed sample. At the equilibrium separation, the variational Monte Carlo and quantum Monte Carlo methods recover 68% and 98% of the correlation energy, respectively. At other points on the curves, these methods yield similar accuracies.

Optimization of tried wave-function in quantum monte-carlo method

A method for optimizing tried wave functions in quantum Monte Carlo method has been found and used to calculate the energies of molecules, such as H-2, Li-2, H-3+, H-3 and H-4. Good results were obtained.

Two-dimensional short surface-waves of an oscillating cylinder with arbitrary shape of cross-section

The 2-D short surface waves produced by a partially submerged cylinder which performsarbitrary oscillating motion are discussed. The uniformly valid solution which is applicableto all kinds of cylinder wall cases at waterline point is obtained. It is pointed out that thesolution obtained by Holford[J] for the vertical oscillating motion of a cylinder is incomplete.The reason why his solution cannot go over to that for the case of vertical cylinder wall atwaterline point is also pointed out.