Parallel Numerical Calculations of Quantum Trimer Systems
In this report, total angular momentum representation is used in order to write the Schrödinger equation for the trimer as a finite system of coupled three-dimensional differential equations. The complex scaling method is used for studying resonances of trimers. To get a numerical approximation of the problem, a combination of the high-order finite element method with the spectral method is used. This approach results in a generalized eigenvalue problem. Its spectrum describes bound states and resonances of the trimers. Different parallelization techniques (OpenMP, MPI, GPGPU) are considered for the calculation of the matrix elements of the problem. Their efficiency and scalability are discussed and compared.
KeywordsQuantum trimer spectral method finite element method parallel calculations MPI OpenMP GPGPU
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