Optimisation of quantum Monte Carlo wave function: steepest descent method

We have employed the steepest descent method to optimise the variational ground state quantum Monte Carlo wave function for He, Li, Be, B and C atoms. We have used both the direct energy minimisation and the variance minimisation approaches. Our calculations show that in spite of receiving insufficient attention, the steepest descent method can successfully minimise the wave function. All the derivatives of the trial wave function respect to spatial coordinates and variational parameters have been computed analytically. Our ground state energies are in a very good agreement with those obtained with diffusion quantum Monte Carlo method (DMC) and the exact results.Comment: 13 pages, 3 eps figure

Vehicular traffic flow at an intersection with the possibility of turning

We have developed a Nagel-Schreckenberg cellular automata model for describing of vehicular traffic flow at a single intersection. A set of traffic lights operating in fixed-time scheme controls the traffic flow. Open boundary condition is applied to the streets each of which conduct a uni-directional flow. Streets are single-lane and cars can turn upon reaching to the intersection with prescribed probabilities. Extensive Monte Carlo simulations are carried out to find the model flow characteristics. In particular, we investigate the flows dependence on the signalisation parameters, turning probabilities and input rates. It is shown that for each set of parameters, there exist a plateau region inside which the total outflow from the intersection remains almost constant. We also compute total waiting time of vehicles per cycle behind red lights for various control parameters.Comment: 8 pages, 17 eps figures, Late