An object-oriented implementation of a solver of the time-dependent Schrödinger equation using the CUDA technology
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Abstract
We present a set of C++ classes which allow one to use the graphics card processors cores for quantum ab initio simulations, i.e. a direct solving of the time-dependent Schrödinger equation, gaining the benefits from the parallel architecture of the graphical processor units. We use the Chebyshev polynomial and FFT algorithm. The solution is based on NVIDIA CUDA technology. The speed-up factor in the test runs of our classes performed using the graphics card processor can even be of order of ...
Title of program: QnDynCUDA
Catalogue Id: AELE_v1_0
Nature of problem
Solving the time-dependent Schrödinger equation
Versions of this program held in the CPC repository in Mendeley Data
AELE_v1_0; QnDynCUDA; 10.1016/j.cpc.2011.11.026
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
