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Ab initioSCF-CI studies of the intermolecular interaction between two hydrogen molecules near the Van der Waals minimum

✍ Scribed by Elise Kochanski; Björn Roos; Per Siegbahn; Melvyn H. Wood

Publisher
Springer
Year
1973
Tongue
English
Weight
475 KB
Volume
32
Category
Article
ISSN
1432-2234

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✍ Valerio Magnasco; Giuseppe Figari; Andrea Siciliano 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 609 KB

Rayleigh-Schr6dinger perturbation theory including exchange based upon an unpartitioned Hamiltonian and properly symmetrized vs has been applied to the ground and the first excited state of the hydrogen molecule ion. Expansion of the first-order function in terms of two-centre linear pseudostates in