Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene

Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer

(2010) Karol Kowalski et al.   JOURNAL OF CHEMICAL PHYSICS

Excitons in potassium bromide: A study using embedded time-dependent density functional theory and equation-of-motion coupled cluster methods

(2009) N. Govind et al.   CHEMICAL PHYSICS LETTERS

Third-order generalized Van Vleck perturbation theory variant of multireference perturbation theory for electron correlation

(2009) Yuriy G. Khait et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

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

Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces

(2009) Karol Kowalski   JOURNAL OF CHEMICAL PHYSICS

Excited states of methylene from quantum Monte Carlo

(2009) Paul M. Zimmerman et al.   JOURNAL OF CHEMICAL PHYSICS

Large-scale parallel calculations with combined coupled cluster and molecular mechanics formalism: Excitation energies of zinc–porphyrin in aqueous solution

(2008) Peng-Dong Fan et al.   CHEMICAL PHYSICS LETTERS

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

(2008) Xiangzhu Li 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

Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules

(2008) Julien Toulouse et al.   JOURNAL OF CHEMICAL PHYSICS

Application of High-Level Iterative Coupled-Cluster Methods to the Cytosine Molecule

(2008) Karol Kowalski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Electronically Excited States of Uracil

(2008) Evgeny Epifanovsky et al.   JOURNAL OF PHYSICAL CHEMISTRY A