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An accurate, global, ab initio potential energy surface for the H +3 molecule

✍ Scribed by POLYANSKY, OLEG L.; PROSMITI, RITA; KLOPPER, WIM; TENNYSON, JONATHAN


Book ID
126675585
Publisher
Taylor and Francis Group
Year
2000
Tongue
English
Weight
942 KB
Volume
98
Category
Article
ISSN
0026-8976

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An accurate ab initio potential energy s
✍ Fu-Ming Tao; Zhiru Li; Yuh-Kang Pan πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 542 KB

We present an accurate calculation of the intermolecular potential surface for the van der Waals complex He-H20 using complete fourth-order MΒ’ller-Plesset perturbation theory (MP4) with an efficient basis set containing bond functions. The calculation gives a global minimum at R = 3.15 /~, 0 = 105 Β°