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Geometric Quantization, Parallel Transport and the Fourier Transform

✍ Scribed by William D. Kirwin; Siye Wu

Book ID
105902603
Publisher
Springer
Year
2006
Tongue
English
Weight
244 KB
Volume
266
Category
Article
ISSN
0010-3616

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πŸ“œ SIMILAR VOLUMES

Parallel DFT gradients using the Fourier
Parallel DFT gradients using the Fourier Transform Coulomb method
✍ Jon Baker; Krzysztof Wolinski; Peter Pulay πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 116 KB

## Abstract The recently described Fourier Transform Coulomb (FTC) algorithm for fast and accurate calculation of Density Functional Theory (DFT) gradients (FΓΌsti‐Molnar, J Chem Phys 2003, 119, 11080) has been parallelized. We present several calculations showing the speed and accuracy of our new p