Using the charge-stabilization technique in the double ionization potential equation-of-motion calculations with dianion references

Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore

(2011) Dmitry Zuev et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference coupled-cluster theory: The easy way

(2011) Monika Musiał et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Structure and Spectroscopy of Oxyallyl: A Theoretical Study

(2010) Vadim Mozhayskiy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Products of the Benzene + O(3P) Reaction†

(2010) Craig A. Taatjes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The coupled-cluster revolution

(2010) Rodney J. Bartlett   MOLECULAR PHYSICS

Use of stabilization by uniformly charged sphere for the resonance states calculations

(2010) D. D. Kharlampidi et al.   Russian Journal of Physical Chemistry A

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

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase

(2009) Evgeny Epifanovsky et al.   Journal of Chemical Theory and Computation

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

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

Visualization of Molecular Orbitals and the Related Electron Densities

(2008) Maciej Haranczyk et al.   Journal of Chemical Theory and Computation