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Quantum structuring of 4He atoms around ionic dopants: energetics of LI+, NA+ and K+ from stochastic calculations

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dc.contributor.coauthorCoccia, Emanuele
dc.contributor.coauthorBodo, Enrico
dc.contributor.coauthorMarinetti, Fabio
dc.contributor.coauthorGianturco, Francesco A.
dc.contributor.coauthorYurtsever, Mine
dc.contributor.coauthorYıldırım, Erol
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorYurtsever, İsmail Ersin
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-11-09T23:14:46Z
dc.date.issued2008
dc.description.abstractQuantum variational and diffusion Monte Carlo (VMC, DMC) calcula¬tions are carried out using accurate, ab initio interaction potentials for alkali metal ions doping small4He clusters. The results for Li+, Na+ and K+ with clusters up to n = 16 reveal an interesting interplay between ionic forces and He–He interactions when driving the spatial delocal¬ization of the solvating helium adatoms which form the initial snowball structures within the larger droplets.
dc.description.indexedbyScopus
dc.description.openaccessYES
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.identifier.doi10.1142/9781848162389_0018
dc.identifier.isbn9781-8481-6238-9
dc.identifier.isbn9781-8481-6237-2
dc.identifier.quartileN/A
dc.identifier.scopus2-s2.0-84967692963
dc.identifier.urihttps://doi.org/10.1142/9781848162389_0018
dc.identifier.urihttps://hdl.handle.net/20.500.14288/10210
dc.keywordsHe droplets
dc.keywordsIonic dopants
dc.keywordsMonte Carlo calculations
dc.language.isoeng
dc.publisherImperial College Press
dc.relation.ispartofLatest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale
dc.subjectChemistry
dc.titleQuantum structuring of 4He atoms around ionic dopants: energetics of LI+, NA+ and K+ from stochastic calculations
dc.typeBook Chapter
dspace.entity.typePublication
local.contributor.kuauthorYurtsever, İsmail Ersin
local.publication.orgunit1College of Sciences
local.publication.orgunit2Department of Chemistry
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relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb
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