Energetics of naphthynes — Performance of reduced multi-reference coupled-cluster methods for diradicals

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

Full potential energy curve for N2 by the reduced multireference coupled-cluster method

(2008) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods

(2008) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship

(2008) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

REDUCED MULTIREFERENCE COUPLED-CLUSTER METHOD AND ITS APPLICATION TO THE PYRIDYNE DIRADICALS

(2008) XIANGZHU LI et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Quantitative quantum chemistry

(2008) Trygve Helgaker et al.   MOLECULAR PHYSICS