most citedEfficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library

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physics.chem-ph2017★ 35 cited

Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library

Stephan Mohr, William Dawson, Michael Wagner +3

We present CheSS, the "Chebyshev Sparse Solvers" library, which has been designed to solve typical problems arising in large-scale electronic structure calculations using localized…