The concept of a chemical bond evolved from a variety of experimental observations. It became useful to understand, at times even predict, the molecular structu

The Sixth International Congress on Quantum Chemistry convened at the Campus of the Hebrew University. Jerusalem. Israel. on August 22-25. 1988. The Internation

Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of

This book is a presentation of a qualitative theory of chemical bonding stressing the physical processes which occur on bond formation. It differs from most (if

Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it