Today, coupled-cluster theory offers the most accurate results among the practical ab initio
electronic-structure theories applicable to moderate-sized molecules. Though it was …

Multireference Nature of Chemistry: The Coupled-Cluster View | Chemical Reviews ACS ACS
Publications C&EN CAS Find my institution Log In Chemical Reviews ACS Publications. Most …

DIRAC is a freely distributed general-purpose program system for one-, two-, and four-
component relativistic molecular calculations at the level of Hartree–Fock, Kohn–Sham …

One goal of ab initio quantumchemistry is to be predictive. Predictive quantum chemistry
requires a very accurate inclusion of the essential effects of electron correlation. Coupled …

The electron attachment equation of motion coupled cluster (EA‐EOMCC) method is derived
which enables determination of the various bound states of an (N+ 1)‐electron system and …

Predicting the electronic structure and properties of molecular systems that display strong
electron correlation effects continues to remain a fundamental theoretical challenge. This …

What has since become known as the normal coupled cluster method (NCCM) was invented
about thirty years ago to calculate ground-state energies of closed-shell atomic nuclei …

Abstract I. Introduction A. Historical Outline B. Scope of the Review II. Methodology A. Basic
Notation: Second vs. First Quantization B. Many-Body Perturbation Theory (MBPT): Origins …

In this paper we present a comprehensive account of a manifestly size-consistent coupled
cluster formalism for a specific state, which is based on a reference function composed of …

We here present how a self-consistent solution of the dynamical mean-field theory equations
can be obtained using exact diagonalization of an Anderson impurity model with accuracies …