Login / Signup

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

Tommaso NottoliIvan GiannìAntoine LevittFilippo Lipparini
Published in: CoRR (2023)
Keyphrases
  • optimal solution
  • locally optimal
  • open source
  • eigenvalue problems
  • preconditioned conjugate gradient
  • objective function
  • globally optimal
  • machine learning