Exploring Harmony between Theory and Computation - Toward a unified electronic structure theory

Abstract

The physical aspect of a general perturbation theory is explored. Its role as a physical principle for understanding the interaction among matter with different levels of hierarchy is appreciated. It is shown that the generic perturbation theory can not only be used for understanding various electronic phenomena including the nature of chemical bonds but also serve as a $\it{unified}$ theme for developing $\it{general}$ electronic structure theories and calculation schemes. In particular, a $\it{standard}$ electron correlation approach is suggested and established according to this law.