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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00414
Abstract: The computation of two-electron repulsion integrals (ERIs) is often the most expensive step of integral-direct self-consistent field methods. Formally it scales as O(N4), where N is the number of Gaussian basis functions used to represent…
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Keywords:
multi gpu;
multinode;
using regent;
multinode multi ... See more keywords
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recommendations!
1
Published in 2022 at "IEEE Transactions on Instrumentation and Measurement"
DOI: 10.1109/tim.2022.3169796
Abstract: Magnetic resonance sounding (MRS) is a geophysical method to detect aquifers directly in the earth’s magnetic field, which offers the benefit to evaluate groundwater qualitatively and quantitatively. Due to the influence of powerline harmonic noise,…
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Keywords:
magnetic resonance;
multinode;
noise;
harmonic noise ... See more keywords