Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme: Application to a test set of 106 systems

Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges

(2012) Kirk A. Peterson et al.   THEORETICAL CHEMISTRY ACCOUNTS

Explicitly Correlated R12/F12 Methods for Electronic Structure

(2011) Liguo Kong et al.   CHEMICAL REVIEWS

Quantum Monte Carlo with Jastrow-valence-bond wave functions

(2011) Benoît Braïda et al.   JOURNAL OF CHEMICAL PHYSICS

On the effectiveness of CCSD(T) complete basis set extrapolations for atomization energies

(2011) David Feller et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate computational thermochemistry from explicitly correlated coupled-cluster theory

(2010) Wim Klopper et al.   THEORETICAL CHEMISTRY ACCOUNTS

Extrapolation to the Complete Basis Set Limit without Counterpoise. The Pair Potential of Helium Revisited†

(2009) A. J. C. Varandas   JOURNAL OF PHYSICAL CHEMISTRY A

Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory

(2008) Wim Klopper et al.   CHEMICAL PHYSICS

A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures

(2008) David Feller et al.   JOURNAL OF CHEMICAL PHYSICS

Møller-Plesset perturbation energies and distances for HeC20extrapolated to the complete basis set limit

(2008) A. J. C. Varandas   JOURNAL OF COMPUTATIONAL CHEMISTRY

Generalized Uniform Singlet- and Triplet-Pair Extrapolation of the Correlation Energy to the One Electron Basis Set Limit

(2008) A. J. C. Varandas   JOURNAL OF PHYSICAL CHEMISTRY A