MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme

Kasper Kristensen, Ida-Marie Høyvik, Branislav Jansik, Poul Jørgensen, Thomas Kjærgaard, Simen Reine, Jacek Jakowski
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp41958k