PHYS 532 |
| Because the Schrödinger equation cannot be solved analytically for systems larger than hydrogen, approximate solution methods must be applied. Quantum Monte Carlo is one of these methods and necessitates the use of one of two imaginary time propagators, 2nd or 4th order. The choice of the propagator implemented depends on a balance between accuracy and efficiency. Obtaining accurate solutions is the primary objective; once this is accomplished, finding ways to do it efficiently is the next intention. With a model system of a multidimensional harmonic oscillator, this study intends to compare and contrast both 2nd and 4th order propagators' diminished accuracy as the dimensionality of the system is increased. We start a simulation by placing walkers at the origin, moving them forward one time step in imaginary time, creating normalized histograms of their positions and comparing these with the known result for the imaginary time propagation of the delta function δ(x=0). |
|
PHYS Poster Session - General Theory
7:30 PM-10:00 PM, Wednesday, April 9, 2008 Morial Convention Center -- Hall A, Poster
Division of Physical Chemistry |