Interdimensional degeneracies in van der Waals clusters and quantum Monte Carlo computation of rovibrational states.

Quantum Monte Carlo Methods in Statistical Mechanics

This paper deals with the optimization of trial states for the computation of dominant eigenvalues of operators and very large matrices. In addition to preliminary results for the energy spectrum of van der Waals clusters, we review results of the application of this method to the computation of relaxation times of independent relaxation modes at the Ising critical point in two dimensions.

Trial Function Optimization for Excited States of Van Der Waals Clusters

A method is introduced to optimize excited state trial wavefunctions. The method is applied to ground and vibrationally excited states of bosonic van der Waals clusters of upto seven particles. Employing optimized trial wave functions with three-body correlations, we use correlation function Monte Carlo to estimate the corresponding excited state energies.

Optimization of ground- and excited-state wave functions and van der Waals clusters.

A quantum Monte Carlo method is introduced to optimize excited-state trial wave functions. The method is applied in a correlation function Monte Carlo calculation to compute ground- and excited-state energies of bosonic van der Waals clusters of up to seven particles. The calculations are performed using trial wave functions with general three-body correlations.

Quantum Monte Carlo Simulation of van der Waals Systems

Determination of the Second Virial Coefficient for Binary Mixtures of Ar with CH4 and CO using Van der Waals and Dieterici Models

In this paper, we calculate the second virial coefficient for binary mixtures of Ar with CH4 and CO in order to evaluate the performance of equations of state (EOSs). The investigated EOSs are van der Waals (vdW), Redlich-Kwong (RK), Peng-Robinson (PR), Carnahan-Starling–van der Waals (CS-vdW) and Guggenheim-van der Waals (G-vdW) based on van der Waals model. In our work, we also use Dieterici ...