𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of Hg-Hg and E112-E112 van der Waals interactions

✍ Scribed by A. N. Petrov; N. S. Mosyagin; A. V. Titov; A. V. Zaitsevskii; E. A. Rykova

Book ID
111440770
Publisher
SP MAIK Nauka/Interperiodica
Year
2009
Tongue
English
Weight
539 KB
Volume
72
Category
Article
ISSN
1063-7788

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Simplified methods for the ab-initio cal
Simplified methods for the ab-initio calculation of van der Waals interactions including exchange
✍ Fred Mulder; Petro Geurts; Ad van der Avoird 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 688 KB

It is demonstrated on the example of He2 that the W-I der \Vs& energy can b: ca!cullted quit? xcurately by the multistructure valence-bond method usin\_s n relatively simple "aEfec;ive excited sb!e" mode!. A simplified procedure for oprimiation of the excited stare orbita!s, bssed on ~vork by hfurre

Ab initio study of isomers of neutral an
Ab initio study of isomers of neutral and ionized van der Waals dimer (CH3I)2
✍ G.A. Bogdanchikov; A.V. Baklanov; D.H. Parker 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 204 KB

Ab initio calculations at the MP2 level have been carried out for two most stable neutral isomers of van der Waals dimer (CH 3 I) 2 and for their ionized forms. It was found within MP4(SDTQ)//MP2 approach that neutral head-to-tail HT isomer (dimerization energy )778 cm À1 ) is more stable than head-