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Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions.
Evgeny Moerman
Felix Hummel
Andreas Grüneis
Andreas Irmler
Matthias Scheffler
Published in:
J. Open Source Softw. (2022)
Keyphrases
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basis functions
linear combination
b spline
radial basis function
state space
clustering algorithm
matching pursuit
set of basis functions
factored mdps
low order
spherical harmonics
data clustering
wavelet bases
user interface
wavelet analysis
lookup tables
series expansion
machine learning