𝔖 Bobbio Scriptorium
✦   LIBER   ✦

He2+2: A comparison between Hartree–Fock and density functional techniques

✍ Scribed by Oscar N. Ventura; J. Paolo Bartolucci; Ramón M. Sosa


Book ID
104581491
Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
478 KB
Volume
27
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Vibrational analysis of TeCl4. II. A Har
✍ Attila Kovács; Gábor I. Csonka 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 251 KB 👁 1 views

The geometry and vibrational spectrum of TeCl was calculated with 4 w Ž . various quantum chemical methods Hartree᎐Fock, second-order Møller-Plesset MP2 Ž . x and generalized gradient approximation density functional theory GGA-DFT . Five different basis-set combinations were tested: the relativisti