Multi-reference state-universal coupled-cluster approaches to electronically excited states

Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation

(2011) Kiran Bhaskaran-Nair et al.   JOURNAL OF CHEMICAL PHYSICS

Model space incompleteness in multireference state-universal and state-selective coupled-cluster theories

(2010) Xiangzhu Li et al.   CHEMICAL PHYSICS LETTERS

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

(2010) Ingvar Lindgren   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Multireference coupled-cluster methods for ground and low-lying excited states. A benchmark illustration on CH + potentials

(2010) Xiangzhu Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states

(2010) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Multireference Mukherjee’s coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications

(2010) Kiran Bhaskaran-Nair et al.   JOURNAL OF CHEMICAL PHYSICS

Performance of multireference and equation-of-motion coupled-cluster methods for potential energy surfaces of low-lying excited states: Symmetric and asymmetric dissociation of water

(2010) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Perturbative triples corrections in state-specific multireference coupled cluster theory

(2010) Francesco A. Evangelista et al.   JOURNAL OF CHEMICAL PHYSICS

A Multireference Coupled-Cluster Study of Electronic Excitations in Furan and Pyrrole†

(2010) Xiangzhu Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Multireference coupled-cluster Ansatz

(2010) Bogumil Jeziorski   MOLECULAR PHYSICS

Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches

(2009) Piotr Piecuch et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory

(2009) Tomasz Kuś et al.   JOURNAL OF CHEMICAL PHYSICS

Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples

(2009) David Casanova et al.   JOURNAL OF CHEMICAL PHYSICS

Symmetry breaking in spin-restricted Hartree–Fock solutions: the case of the C2 molecule and the N2+ and F2+ cations

(2009) Xiangzhu Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space

(2008) Anna I. Krylov   Annual Review of Physical Chemistry

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

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

A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states

(2008) Dmitry I. Lyakh et al.   JOURNAL OF CHEMICAL PHYSICS

Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives

(2008) Andrew G. Taube et al.   JOURNAL OF CHEMICAL PHYSICS

Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces

(2008) Andrew G. Taube et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference state-specific Mukherjee’s coupled cluster method with noniterative triexcitations

(2008) Kiran Bhaskaran-Nair et al.   JOURNAL OF CHEMICAL PHYSICS

Application of Double Ionization State-Specific Equation of Motion Coupled Cluster Method to Organic Diradicals

(2008) Ondřej Demel et al.   JOURNAL OF PHYSICAL CHEMISTRY A