The orthogonalized linear combination of atomic orbitals
by
Wai-Yim Ching, Paul Rulis
Language: English
Release Date: May 17, 2012
Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness...