Wave function optimization vmc (1 Ergebnisse)

Taschenbuch. Zustand: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. QMC calculations crucially depend on the quality of the trial-function, and so it is essential to have an optimized wave-function as close as possible to the ground state. The problem of function optimization is a very important research topic in numerical simulation. In QMC, in addition to the usual difficulties to find the minimum of multidimensional parametric function, the statistical noise is present in the estimate of the cost function (usually the energy), and its derivatives, required for an efficient optimization.Different cost functions and different strategies were used to optimize a many-body trial-function. Usually three cost functions were used in QMC optimization energy, variance or a linear combination of them. The variance optimization method has the advantage that the exact wavefunction's variance is known. (Because the exact wavefunction is an eigenfunction of the Hamiltonian, the variance of the local energy is zero).…