An accurate determination of three-body intermolecular forces in the helium trimer

✍ Scribed by Fu-Ming Tao

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 324 KB
• Volume: 227
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(94)00839-6

✦ Synopsis

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 counterpoise procedure is properly employed. The exchange-repulsion effect dominates the contribution to the three-body energy while the correlation contribution is in accord with the Axilrod-Teller-Muto tripledipole perturbation expression.