Items for "MP2"

On the Prospective Use of the One-Electron Density Matrix as a Test of the Quality of Post-Hartree–Fock Schemes for Crystals

It is argued that experimental determinations of the one-electron density matrix of crystalline systems, γ₁(r,r´), based on directional Compton profiles and X-ray structure factors could be useful to assess the quality of computational techniques which take electron correlation effects into account...

Keywords: Local Correlation, MP2, One-Electron Density Matrix, LiH