Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimization

A worrisome failure of the CC2 coupled-cluster method when applied to ozone

(2010) Mathias Pabst et al.   CHEMICAL PHYSICS LETTERS

Potential energy surface studies via a single root multireference coupled cluster theory

(2010) Uttam Sinha Mahapatra et al.   JOURNAL OF CHEMICAL PHYSICS

Insights into the orbital invariance problem in state-specific multireference coupled cluster theory

(2010) Francesco A. Evangelista 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

Uncoupled multireference state-specific Mukherjee’s coupled cluster method with triexcitations

(2010) Ondřej Demel et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2010) Thomas-C. Jagau et al.   JOURNAL OF CHEMICAL PHYSICS

Toward an Improved Ground State Potential Energy Surface of Ozone†

(2010) Filip Holka et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Multilevel Extension of the Cluster-in-Molecule Local Correlation Methodology: Merging Coupled-Cluster and Møller−Plesset Perturbation Theories

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

Orbital invariance issue in multireference methods

(2009) Liguo Kong   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods

(2009) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Configuration-Driven Unitary Group Approach for Generalized Van Vleck Variant Multireference Perturbation Theory†

(2009) Wanyi Jiang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dissociating N2: a multi-reference coupled cluster study on the potential energy surfaces of ground and excited states

(2009) Anna Engels-Putzka et al.   MOLECULAR PHYSICS

Method of moments for the continuous transition between the Brillouin–Wigner-type and Rayleigh–Schrödinger-type multireference coupled cluster theories

(2009) Jiří Pittner et al.   MOLECULAR 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

The accuracy of molecular bond lengths computed by multireference electronic structure methods

(2008) Ron Shepard et al.   CHEMICAL PHYSICS

Connection between a few Jeziorski-Monkhorst ansatz-based methods

(2008) Liguo Kong   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Restoring the size consistency of multireference configuration interactions through class dressings: Applications to ground and excited states

(2008) Nadia Ben Amor 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. II. Applications and performance

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

Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory

(2008) Rajat K. Chaudhuri 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

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