Journal
11TH INTERNATIONAL CONFERENCE OF NUMERICAL ANALYSIS AND APPLIED MATHEMATICS 2013, PTS 1 AND 2 (ICNAAM 2013)
Volume 1558, Issue -, Pages 1528-1531Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4825814
Keywords
Confined atoms; MP2; EP2; 4-index transformation; CUDA; Reduction on GPUs
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In this work, we present the kernel launched by CUDA in a Graphics Processing Unit (GPU) to evaluate four-index transformation for confined atoms to estimate correlation energy from the many-body perturbation theory and ionization potentials from the electron propagator, both methods to second order. The four-index transformation and the two-electron integrals are computed completely in a GPU.
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