✦ LIBER ✦

Similarity transformed equation of motion coupled cluster theory revisited: a benchmark study of valence excited states

✍ Scribed by Sous, J.; Goel, P.; Nooijen, M.

Book ID: 121262524
Publisher: Taylor and Francis Group
Year: 2013
Tongue: English
Weight: 728 KB
Volume: 112
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268976.2013.847216

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Coupled-cluster theory for excited elect

Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method

✍ Kucharski, Stanisław A.; Włoch, Marta; Musiał, Monika; Bartlett, Rodney J. 📂 Article 📅 2001 🏛 American Institute of Physics 🌐 English ⚖ 283 KB

Analytic evaluation of the nonadiabatic

Analytic evaluation of the nonadiabatic coupling vector between excited states using equation-of-motion coupled-cluster theory

✍ Tajti, Attila; Szalay, Péter G. 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 527 KB

[Advances in Quantum Chemistry] Advances

[Advances in Quantum Chemistry] Advances in Quantum Chemistry Volume 49 Volume 49 || Analytical Energy Gradients for Excited-State Coupled-Cluster Methods: Automated Algebraic Derivation of First Derivatives for Equation-of-Motion Coupled-Cluster and Similarity Transformed Equation-of-Motion Coupled-Cluster Theories

✍ Wladyslawski, Mark 📂 Article 📅 2005 🏛 Elsevier 🌐 English ⚖ 757 KB

Extension of the Renormalized Coupled-Cl

Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study †

✍ Włoch, Marta; Gour, Jeffrey R.; Piecuch, Piotr 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 230 KB

Coupled-cluster theories for the polariz

Coupled-cluster theories for the polarizable continuum model. II. Analytical gradients for excited states of molecular solutes by the equation of motion coupled-cluster method

✍ R. Cammi 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 173 KB

## Abstract The theory for the analytical energy gradients of excited electronic state described by equation of motion couped‐cluster method (EOM‐CC) (Stanton, J Chem Phys, 1993, 99, 8840) has been generalized to molecules in solution within the polarizable continuum model (PCM) framework (Miertuš

Spin-Flip Equation-of-Motion Coupled-Clu

Spin-Flip Equation-of-Motion Coupled-Cluster Electronic Structure Method for a Description of Excited States, Bond Breaking, Diradicals, and Triradicals

✍ Anna I. Krylov 📂 Article 📅 2006 🏛 John Wiley and Sons ⚖ 8 KB

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.