STATISTICAL ERROR METHODS IN COMPUTER-SIMULATIONS

Two methods of studying the statistical error in the sequences of data obtained by computer simulation are compared. The first method divides the sequence into blocks whose length is selected graphically by means of the "statistical inefficiency." The second method uses the autocorrelation function of all the values obtained and analytically calculates its convergence by means of the "correlation length." The general relationship between the two parameters is found mathematically and is in good agreement with the experimental data obtained by molecular dynamics simulation in the melting zone when a very accurate algorithm is used. As a consequence, the analytical method is more accurate than the graphical method. © 1990.