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pro vyhledávání: '"Williams, Jacob"'
Autor:
Williams, Jacob Z., Yang, Weitao
Delocalization error prevents density functional theory (DFT) from reaching its full potential, causing problems like systematically underestimated band gaps and misaligned energy levels at interfaces. We introduce lrLOSC to correct delocalization er
Externí odkaz:
http://arxiv.org/abs/2406.07351
Autor:
Young, David W.1
Publikováno v:
Southeastern Librarian. Summer2024, Vol. 72 Issue 2, p21-22. 2p.
Density functional theory offers accurate structure prediction at acceptable computational cost, but commonly used approximations suffer from delocalization error; this results in inaccurate predictions of quantities such as energy band gaps of finit
Externí odkaz:
http://arxiv.org/abs/2202.01870
Publikováno v:
In Clinical Breast Cancer August 2024 24(6):e495-e502
The construction of Wannier functions from Bloch orbitals offers a unitary freedom that can be exploited to yield Wannier functions with advantageous properties. Minimizing the spatial variance is a well-known choice; another, previously proposed for
Externí odkaz:
http://arxiv.org/abs/2201.07751
Autor:
Crawford, Richard
Publikováno v:
Journal of the American Musicological Society, 1972 Jul 01. 25(2), 255-258.
Externí odkaz:
https://www.jstor.org/stable/830601
Autor:
Rana, M. Asif, Chen, Daphne, Ahmadzadeh, S. Reza, Williams, Jacob, Chu, Vivian, Chernova, Sonia
In this work, we contribute a large-scale study benchmarking the performance of multiple motion-based learning from demonstration approaches. Given the number and diversity of existing methods, it is critical that comprehensive empirical studies be p
Externí odkaz:
http://arxiv.org/abs/1911.02725
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