Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations

Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy

(2014) J. Yang et al.   SCIENCE

Revisitation of Nonorthogonal Spin Adaptation in Coupled Cluster Theory

(2013) Devin A. Matthews et al.   Journal of Chemical Theory and Computation

Splitting multiple bonds: A comparison of methodologies on the accuracy of bond dissociation energies

(2013) David Robinson   JOURNAL OF COMPUTATIONAL CHEMISTRY

Accurate Determination of Barrier Height and Kinetics for the F + H2O → HF + OH Reaction

(2013) Thanh Lam Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The eight-valence-electron systems re-examined: convergence of the coupled-cluster series and performance of quasiperturbative methods for quadruple excitations

(2013) Jan M.L. Martin   MOLECULAR PHYSICS

The route to high accuracy inab initiocalculations of Cu quadrupole-coupling constants

(2012) Lan Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

Which Ab Initio Wave Function Methods Are Adequate for Quantitative Calculations of the Energies of Biradicals? The Performance of Coupled-Cluster and Multi-Reference Methods Along a Single-Bond Dissociation Coordinate

(2012) Ke R. Yang et al.   Journal of Chemical Theory and Computation

State-specific multireference coupled-cluster theory

(2012) Andreas Köhn et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Multireference coupled-cluster theory: The easy way

(2011) Monika Musiał et al.   JOURNAL OF CHEMICAL PHYSICS

Performance of W4 theory for spectroscopic constants and electrical properties of small molecules

(2010) Amir Karton et al.   JOURNAL OF CHEMICAL PHYSICS

Gas phase optical rotation calculated from coupled cluster theory with zero-point vibrational corrections from density functional theory

(2009) Thomas Bondo Pedersen et al.   CHIRALITY

Accurate Coupled Cluster Calculations of the Reaction Barrier Heights of Two CH3•+ CH4Reactions†

(2009) Wim Klopper et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone

(2009) Yan Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview

(2008) Michael E. Harding et al.   JOURNAL OF CHEMICAL PHYSICS