activity
20212026
most citedA black-box, general purpose quadratic self-consistent field code with and without Cholesky Decomposition of the two-electron integrals

19 citations · 50 across the 14 of their papers we have counts for

collaborators
Showing math.NAShow all

1 paper · 1 filter

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…