Display options
Cite
Coccia E, Bodo E, Marinetti F, et al. Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations. J Chem Phys. 2007;126(12):124319doi: 10.1063/1.2712437.
Coccia, E., Bodo, E., Marinetti, F., Gianturco, F. A., Yildrim, E., Yurtsever, M., & Yurtsever, E. (2007). Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations. The Journal of chemical physics, 126(12), 124319. https://doi.org/10.1063/1.2712437
Coccia, E, et al. "Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations." The Journal of chemical physics vol. 126,12 (2007): 124319. doi: https://doi.org/10.1063/1.2712437
Coccia E, Bodo E, Marinetti F, Gianturco FA, Yildrim E, Yurtsever M, Yurtsever E. Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations. J Chem Phys. 2007 Mar 28;126(12):124319. doi: 10.1063/1.2712437. PMID: 17411135.
Copy Download .nbib Format: NLM
Share it on

J Chem Phys. 2007 Mar 28;126(12):124319. doi: 10.1063/1.2712437.

Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations.

The Journal of chemical physics

E Coccia, E Bodo, F Marinetti, F A Gianturco, E Yildrim, M Yurtsever, E Yurtsever

Affiliations

  1. Department of Chemistry, University of Rome La Sapienza and CNISM, Rome, Italy.

PMID: 17411135 DOI: 10.1063/1.2712437

Abstract

Variational Monte Carlo and diffusion Monte Carlo calculations have been carried out for cations such as Li(+), Na(+), and K(+) as dopants of small helium clusters over a range of cluster sizes up to about 12 solvent atoms. The interaction has been modeled through a sum-of-potential picture that disregards higher order effects beyond atom-atom and atom-ion contributions. The latter were obtained from highly correlated ab initio calculations over a broad range of interatomic distances. This study focuses on two of the most striking features of the microsolvation in a quantum solvent of a cationic dopant: electrostriction and snowball effects. They are discussed here in detail and in relation with the nanoscopic properties of the interaction forces at play within a fully quantum picture of the cluster features.

Publication Types