A systematic study on the fixed-node and localization error in quantum Monte Carlo calculations with pseudopotentials for group III elements

Autor: Flad, Heinz-Jürgen, Savin, Andreas, Schultheiss, Martin, Nicklass, Andreas, Preuss, Heinzwerner
Zdroj: In Chemical Physics Letters 1994 222(3):274-280
Databáze: ScienceDirect