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An extended geminal calculation of the three-body potential for the ground state of the helium trimer

✍ Scribed by I. Røeggen; J. Almlöf

Book ID
114142317
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
498 KB
Volume
388
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES

An extended geminal model calculation of
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The dluocutlon energy of the ground state of the LIZ molecule has been calculated by usmg an extended gemti model. The ulculated result is 1.024 cV and the e\_~perimcntal value is 1.0-18 f 0 013 eV. The diserepncy can at least pvlly be attrlbutcd to a dciicrency III tic orbr14 basu set.

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✍ Fu-Ming Tao 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 324 KB

Three-body nonadditive interaction energies in the helium trimer are calculated by the complete fourth-order Mlaller-Plesset perturbation theory with large basis sets including bond functions. It is shown that the three-body energy can be easily converged to the complete basis set limit only if the