Quasi-variational coupled-cluster theory: Performance of perturbative treatments of connected triple excitations

Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory

(2017) Joshua A. Black et al.   MOLECULAR PHYSICS

Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory

(2013) James B. Robinson et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: The distinguishable cluster approximation

(2013) Daniel Kats et al.   JOURNAL OF CHEMICAL PHYSICS

Quasi-variational coupled cluster theory

(2012) James B. Robinson et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmark Quasi-Variational Coupled Cluster Calculations of Multiple Bond Breaking

(2012) James B. Robinson et al.   Journal of Chemical Theory and Computation

Breaking multiple covalent bonds with Hartree–Fock-based quantum chemistry: Quasi-Variational Coupled Cluster theory with perturbative treatment of triple excitations

(2012) James B. Robinson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A new internally contracted multi-reference configuration interaction method

(2011) K. R. Shamasundar et al.   JOURNAL OF CHEMICAL PHYSICS

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Benchmark studies of variational, unitary and extended coupled cluster methods

(2010) Bridgette Cooper et al.   JOURNAL OF CHEMICAL PHYSICS

The coupled-cluster revolution

(2010) Rodney J. Bartlett   MOLECULAR PHYSICS

The role of orbital transformations in coupled-pair functionals

(2009) Christian Kollmar et al.   THEORETICAL CHEMISTRY ACCOUNTS

On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C2

(2008) Xiangzhu Li et al.   CHEMICAL PHYSICS LETTERS

The barrier height of the F+H2 reaction revisited: Coupled-cluster and multireference configuration-interaction benchmark calculations

(2008) Hans-Joachim Werner et al.   JOURNAL OF CHEMICAL PHYSICS