An orbital-invariant internally contracted multireference coupled cluster approach

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

(2010) Xiangzhu Li et al.   CHEMICAL PHYSICS LETTERS

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

A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: The singles+doubles models

(2010) John A. Parkhill et al.   JOURNAL OF CHEMICAL PHYSICS

An Alternative Hierarchy of Electron Correlation beyond the Electron Pair Approximation†

(2010) Werner Kutzelnigg   JOURNAL OF PHYSICAL CHEMISTRY A

Orbital invariance issue in multireference methods

(2009) Liguo Kong   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Quadratic canonical transformation theory and higher order density matrices

(2009) Eric Neuscamman 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

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

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

Tractable spin-pure methods for bond breaking: Local many-electron spin-vector sets and an approximate valence bond model

(2009) David W. Small et al.   JOURNAL OF CHEMICAL PHYSICS

Multi-reference coupled-cluster study of the potential energy surface of the hydrogen fluoride dissociation including excited states

(2009) Anna Engels-Putzka et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

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

Study of energetics of end-on and side-on peroxide coordination in ligated Cu2O2 models with State-Specific Equation of Motion Coupled Cluster Method

(2008) Liguo Kong et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Higher excitations for an exponential multireference wavefunction Ansatz and single-reference based multireference coupled cluster Ansatz: Application to model systems H4, P4, and BeH2

(2008) Michael Hanrath   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

Molecular applications of state-specific multireference perturbation theory to HF, H2O, H2S, C2, and N2 molecules

(2008) Uttam Sinha Mahapatra et al.   JOURNAL OF CHEMICAL PHYSICS