C&EN26d
Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis
Specifically, we focus on three major classes of density functional approximations that incorporate second-order energy expressions: ab initio (primarily Görling–Levy) functionals, adiabatic ...
C&EN27d
Frozen-Core Analytical Gradients within the Adiabatic Connection Random-Phase Approximation from an Extended Lagrangian
Department of Chemistry and Fermentation Sciences, Appalachian State University, Boone, North Carolina 28608-2021, United States ...