2016PhysRevA.CoM.pdf (907.91 kB)
Quantum effects of nuclear motion in three-particle diatomic ions
journal contribution
posted on 2023-06-09, 03:52 authored by Adam Baskerville, Andrew W King, Hazel CoxHazel CoxA high accuracy, non-relativistic wavefunction is used to study nuclear motion in the ground state of three-particle {a+1a+2a-3} electronic and muonic molecular systems without assuming the Born Oppenheimer approximation. Intracule densities and center of mass particle densities show that as the mass ratio mai/ma3, i=1,2, becomes smaller, the localisation of the like-charged particles (nuclei) a1 and a2 decreases. A new coordinate system is used to calculate center of mass particle densities for systems where a1?a2. It is shown that the nuclear motion is strongly correlated and depends on the relative masses of the nuclei a1 and a2 rather than just their absolute mass. The heavier particle is always more localised and, the lighter the partner mass, the greater the localisation. It is shown, for systems with ma1
History
Publication status
- Published
File Version
- Published version
Journal
Physical Review AISSN
1050-2947Publisher
American Physical SocietyPublisher URL
Volume
94Page range
042512Department affiliated with
- Chemistry Publications
Full text available
- Yes
Peer reviewed?
- Yes
Legacy Posted Date
2016-11-03First Open Access (FOA) Date
2016-11-03First Compliant Deposit (FCD) Date
2016-11-03Usage metrics
Categories
No categories selectedKeywords
Licence
Exports
RefWorks
BibTeX
Ref. manager
Endnote
DataCite
NLM
DC