This book offers a unique learn-by-tutorial approach for ab initio quantum Monte Carlo (QMC) electronic state calculations. The ab initio QMC method is a representative Beyond DFT technique that overcomes challenges faced by the widely used density functional theory (DFT) in materials science. This is the first book focusing on simulation operations of ab initio QMC methods in a tutorial format. This book explains the theoretical background of the ab initio QMC method as a showcase of many-body electron theory attracting interest also from fundamental scientists dealing with quantum...
This book offers a unique learn-by-tutorial approach for ab initio quantum Monte Carlo (QMC) electronic state calculations. The ab initio QMC met...