699 citations · 778 across the 10 of their papers we have counts for
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physics.chem-ph2017★ 2 cited
A quantum dynamics method for excited electrons in molecular aggregate system using a group diabatic Fock matrix
Takehiro Yonehara, Takahito Nakajima
We introduce a practical calculation scheme for the description of excited electron dynamics in molecular aggregated systems within a locally group diabatic Fock representation. Th…
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…