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Soft self consistent pseudopotentials in a generalized eigenvalue formalism
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
Apr 15, 1990
1 min read
outgoing-citations
Authors
David Vanderbilt
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David Vanderbilt
Discovery of new high-pressure phases – integrating high-throughput DFT simulations, graph neural networks, and active learning
How accurate is density functional theory at high pressures?