Long-range-corrected hybrids including RPA correlation

TL;DR

This paper introduces a new method that integrates long-range RPA correlation into density functional theory, improving thermochemical accuracy and modeling van der Waals interactions effectively.

Contribution

It presents a novel scheme connecting RPA and coupled cluster theory to enhance DFT with long-range correlation effects.

Findings

Achieves good thermochemical results

Models van der Waals interactions accurately

Provides a simple, effective scheme for long-range RPA integration

Abstract

We recently demonstrated a connection between the random phase approximation (RPA) and coupled cluster theory [J. Chem. Phys. 129, 231101 (2008)]. Based on this result, we here propose and test a simple scheme for introducing long-range RPA correlation into density functional theory. Our method provides good thermochemical results and models van derWaals interactions accurately.