✦ LIBER ✦

All-electron scalar relativistic calculation on the interaction between nitric monoxide and small gold cluster

✍ Scribed by X. J. Kuang; X. Q. Wang; G. B. Liu

Book ID: 111630059
Publisher: Springer
Year: 2010
Tongue: English
Weight: 714 KB
Volume: 61
Category: Article
ISSN: 1434-6060
DOI: 10.1140/epjd/e2010-00263-8

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A comparative study between all-electron

A comparative study between all-electron scalar relativistic calculation and all-electron calculation on the adsorption of hydrogen molecule onto small gold clusters

✍ XIANG-JUN KUANG, XIN-QIANG WANG, GAO-BIN LIU 📂 Article 📅 2013 🏛 Indian Academy of Sciences,Royal Society of Chemis 🌐 English ⚖ 800 KB

Relativistic all-electron coupled-cluste

Relativistic all-electron coupled-cluster calculations on the gold atom and gold hydride in the framework of the douglas-kroll transformation

✍ Uzi Kaldor; Bernd A. Heß 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 589 KB

A one-component relativistic method, based on the Douglas-Kroll transformation, is combined with the Fock-space coupledcluster method for treating electron correlation. The method is applied to the gold atom. the AuH molecule, and their ions. Excitation energies, ionization potentials, electron affi