✦ LIBER ✦

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

✍ Scribed by Krylov, Anna I.

Book ID: 120995982
Publisher: American Chemical Society
Year: 2006
Tongue: English
Weight: 246 KB
Volume: 39
Category: Article
ISSN: 0001-4842
DOI: 10.1021/ar0402006

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

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.

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

Method of moments of coupled-cluster equ

Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states

✍ P. Piecuch; K. Kowalski; I. S. O. Pimienta; P.-D. Fan; M. Lodriguito; M. J. McGu 📂 Article 📅 2004 🏛 Springer 🌐 English ⚖ 905 KB

Can a Single-Reference Approach Provide

Can a Single-Reference Approach Provide a Balanced Description of Ground and Excited States? A Comparison of the Completely Renormalized Equation-of-Motion Coupled-Cluster Method with Multireference Quasidegenerate Perturbation Theory near a Conical Intersection and along a Photodissociation Coordinate in Ammonia

✍ Nangia, Shikha; Truhlar, Donald G.; McGuire, Michael J.; Piecuch, Piotr 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 63 KB