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The calculation of the ground-state energy of weakly bound vanderwaals trimers using the method of hyperspherical harmonics .1. the born-oppenheimer and adiabatic approximations

The calculation of the ground-state energy of weakly bound vanderwaals trimers using the method of hyperspherical harmonics .1. the born-oppenheimer and adiabatic approximations
The calculation of the ground-state energy of weakly bound vanderwaals trimers using the method of hyperspherical harmonics .1. the born-oppenheimer and adiabatic approximations
The method of hyperspherical harmonics is applied to the calculation of the vibrational energy levels of the three-particle weakly bound van der Waals complexes. (H2)3?(D2) 3 and Ne3. Hyperspherical coordinates and the properties of the associated hyperspherical harmonic functions are discussed. These functions are used as an angular basis in which to expand the wavefunction for the three-particle system. A Born—Oppenheimer-type separation of the angular and hyper-radial motion is made. permitting a lower bound (Born—Oppenheimer approximation) and an upper bound (adiabatic approximation) to the energy of the clusters to be calculated.
415-426
Frey, J.G.
bcd6120a-ce66-4e01-99b5-9ced44cd0ec9
Howard, B.J.
612803f0-446e-4f00-8250-0576d4259996
Frey, J.G.
bcd6120a-ce66-4e01-99b5-9ced44cd0ec9
Howard, B.J.
612803f0-446e-4f00-8250-0576d4259996

Frey, J.G. and Howard, B.J. (1985) The calculation of the ground-state energy of weakly bound vanderwaals trimers using the method of hyperspherical harmonics .1. the born-oppenheimer and adiabatic approximations. Chemical Physics, 99 (3), 415-426. (doi:10.1016/0301-0104(85)80182-8).

Record type: Article

Abstract

The method of hyperspherical harmonics is applied to the calculation of the vibrational energy levels of the three-particle weakly bound van der Waals complexes. (H2)3?(D2) 3 and Ne3. Hyperspherical coordinates and the properties of the associated hyperspherical harmonic functions are discussed. These functions are used as an angular basis in which to expand the wavefunction for the three-particle system. A Born—Oppenheimer-type separation of the angular and hyper-radial motion is made. permitting a lower bound (Born—Oppenheimer approximation) and an upper bound (adiabatic approximation) to the energy of the clusters to be calculated.

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Published date: 1985

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Local EPrints ID: 15950
URI: https://eprints.soton.ac.uk/id/eprint/15950
PURE UUID: 798ec516-63a2-48cc-895a-7b2692973a10

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Date deposited: 14 Jun 2005
Last modified: 17 Jul 2017 16:44

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