Analytic gradients for Mukherjee’s multireference coupled-cluster method using two-configurational self-consistent-field orbitals

Full implementation and benchmark studies of Mukherjee’s state-specific multireference coupled-cluster ansatz

(2010) Sanghamitra Das et al.   JOURNAL OF CHEMICAL PHYSICS

Analytic gradients for the state-specific multireference coupled cluster singles and doubles model

(2009) Eric Prochnow et al.   JOURNAL OF CHEMICAL PHYSICS

Connection between a few Jeziorski-Monkhorst ansatz-based methods

(2008) Liguo Kong   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

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

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

Triple excitations in state-specific multireference coupled cluster theory: Application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems

(2008) Francesco A. Evangelista et al.   JOURNAL OF CHEMICAL PHYSICS

An extended multireference study of the electronic states of para-benzyne

(2008) Evan B. Wang et al.   JOURNAL OF CHEMICAL PHYSICS

A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions

(2008) Prashant U. Manohar et al.   JOURNAL OF CHEMICAL PHYSICS

Singlet−Triplet Energy Splitting and Excited States of Phenylnitrene

(2008) Michael Winkler   JOURNAL OF PHYSICAL CHEMISTRY A

Capture of hydroxymethylene and its fast disappearance through tunnelling

(2008) Peter R. Schreiner et al.   NATURE