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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 61, 1987 - Issue 5
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Original Articles

Van der Waals interaction potentials

Non-additivity in neon and argon lattices

Pages 1283-1293 | Received 28 Jan 1987, Accepted 04 Mar 1987, Published online: 23 Aug 2006
 

Abstract

Three-body contributions to the van der Waals interaction potentials for the ground states of Ne3 and Ar3 are evaluated within the matrix Hartree-Fock model (self-consistent-field within a finite basis set). The calculations are performed for the nuclear geometries which occur as nearest neighbour triangles in solid neon and solid argon, enabling an estimate to be made of the matrix Hartree-Fock contribution to the three-body lattice energy of these solids.

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