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Structure and spectroscopy of NenSH (Ã 2Σ+) complexes using adiabatic diffusion Monte Carlo (ADMC)

H.-S. Lee, J. M. Herbert, and A. B. McCoy
J. Chem. Phys. 111, 9203–9212 (1999)

Abstract

Adiabatic rigid body diffusion Monte Carlo techniques are used to investigate the structure and spectroscopy of complexes of one to four neon atoms with SH (Ã 2Σ+) While these systems contain multiple low-lying minima, the ground state wave functions are well described by a neon cluster weakly interacting with SH. This structure persists in low-lying excited states, in the case of complexes of two neon atoms with SH or SD.

[DOI] [PDF]
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