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20172026
most citedA Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

241 citations · 752 across the 28 of their papers we have counts for

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math.NA2023

A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry

Tommaso Nottoli, Ivan Giannì, Antoine Levitt +1

We present two open-source implementations of the Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) algorithm to find a few eigenvalues and eigenvectors of large, po…