Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure

Additional global internal contraction in variations of multireference equation of motion coupled cluster theory

(2013) Ondřej Demel et al.   JOURNAL OF CHEMICAL PHYSICS

An efficient and near linear scaling pair natural orbital based local coupled cluster method

(2013) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

A Non-antisymmetric Tensor Contraction Engine for the Automated Implementation of Spin-Adapted Coupled Cluster Approaches

(2013) Dipayan Datta et al.   Journal of Chemical Theory and Computation

Multireference equation-of-motion coupled cluster theory

(2012) Dipayan Datta et al.   JOURNAL OF CHEMICAL PHYSICS

A state-specific partially internally contracted multireference coupled cluster approach

(2011) Dipayan Datta et al.   JOURNAL OF CHEMICAL PHYSICS

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

A coupled-cluster approach to the many-body perturbation theory for open-shell systems

(2010) Ingvar Lindgren   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Calculation of properties with the coupled-cluster method

(2010) Hendrik J. Monkhorst   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

An algebraic proof of generalized Wick theorem

(2010) Liguo Kong et al.   JOURNAL OF CHEMICAL PHYSICS

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

State specific equation of motion coupled cluster method in general active space

(2009) Liguo Kong et al.   JOURNAL OF CHEMICAL PHYSICS

Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

(2008) Frank Neese   COORDINATION CHEMISTRY REVIEWS