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New algorithm for tensor contractions on multi-core CPUs, GPUs, and accelerators enables CCSD and EOM-CCSD calculations with over 1000 basis functions on a single compute node.
Ilya A. Kaliman
Anna I. Krylov
Published in:
J. Comput. Chem. (2017)
Keyphrases
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basis functions
computational complexity
dynamic programming
linear combination
tree structure
signal reconstruction
optimal solution
matching pursuit
search space
np hard
state space
higher order
graph structure
nonlinear functions
set of basis functions