In this review we outline the theory and recent progress of the restricted active space
configuration interaction (RASCI) methodology within the hole and particle approximation …

Quantum chemistry is a discipline which relies heavily on very expensive numerical
computations. The scaling of correlated wave function methods lies, in their standard …

We extend the range of applicability of our previous long-range corrected (LC) hybrid
functional, ω B 97 X [J.-D. Chai and M. Head-Gordon, J. Chem. Phys. 128, 084106 (2008)] …

Range‐separated multiconfigurational density functional theory (RS MC‐DFT) rigorously
combines density functional (DFT) and wavefunction (WFT) theories. This is achieved by …

An adiabatic-connection fluctuation-dissipation theorem approach based on a range
separation of electron-electron interactions is proposed. It involves a rigorous combination of …

In the near future, material and drug design may be aided by quantum computer assisted
simulations. These have the potential to target chemical systems intractable by the most …

There has been considerable recent interest in density functionals incorporating random
phase approximation (RPA) ground-state correlation. By virtue of its full nonlocality, RPA …

A simple and robust range-separated (RS) double-hybrid (DH) time-dependent density
functional approach is presented for the accurate calculation of excitation energies of …

We recently demonstrated a connection between the random phase approximation (RPA)
and coupled cluster theory [GE Scuseria et al, J. Chem. Phys. 129, 231101 (2008)]. Based …

Using Green's-function many-body theory, we present the details of a formally exact
adiabatic-connection fluctuation-dissipation density-functional theory based on range …