C&EN25d
Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis
The principal objectives of this research are to evaluate the accuracy of second-order correlation functionals, to understand how the choice of reference orbitals and eigenvalues affects the ...
C&EN26d
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 ...