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Finite-size-dependent dispersion potentials between atoms and ions dissolved in water
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-5249-0211
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Multiscale Materials Modelling.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Multiscale Materials Modelling.ORCID iD: 0000-0002-9050-5445
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2014 (English)In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 106, no 5, 53002- p.Article in journal (Refereed) Published
Abstract [en]

A non-expanded theory is used for dispersion potentials between atoms and ions dissolved in a medium. The first-order dispersion interaction between two atoms in an excited state must account for the fact that the two atoms are coupled via the electromagnetic field and must include effects from background media, retardation and finite size. We show that finite-size corrections when two particles are close change the dispersion interactions in water by several orders of magnitude. We consider as four illustrative examples helium atoms, krypton atoms, phosphate ions, and iodide ions. We demonstrate that, due to large cancellation effects, retardation dominates the interaction for helium atom pairs in an isotropic excited state down to the very small atom-atom separations where finite-size corrections are also important.

Place, publisher, year, edition, pages
2014. Vol. 106, no 5, 53002- p.
Keyword [en]
Correlated Molecular Calculations, Gaussian-Basis Sets, Energy
National Category
Other Physics Topics
Identifiers
URN: urn:nbn:se:kth:diva-149225DOI: 10.1209/0295-5075/106/53002ISI: 000339151800008Scopus ID: 2-s2.0-84902171506OAI: oai:DiVA.org:kth-149225DiVA: diva2:738391
Funder
Swedish Research Council, C0485101
Note

QC 20140818

Available from: 2014-08-18 Created: 2014-08-18 Last updated: 2017-12-05Bibliographically approved
In thesis
1. A study of finite-size and non-perturbative effects on the van der Waals and the Casimir-Polder forces
Open this publication in new window or tab >>A study of finite-size and non-perturbative effects on the van der Waals and the Casimir-Polder forces
2016 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

This licentiate thesis addresses two important aspects of the van der Waals and the Casimir-Polder ground-state and excited-state (resonance) interactions between two atoms or molecules. The first is the finite-size effect and the second is the non-perturbative effect. Going beyond the usual assumption of atoms and molecules as point particles and adopting a description of finite size, the divergence inherent in such interaction energies in the limit of zero separation distance between the two interacting atoms or molecules is removed. The attainment of finite interaction energy at such close separation distance facilitates the estimation of van der Waals force contribution to the binding energy of the molecules, and towards surfaces. This is particularly important for noble atoms. We investigate in detail for a pair of helium (He) atoms and krypton (Kr) atoms, and for a pair of methane (CH4) molecules considering its environmental importance. The application of finite size further leads to finite self energies of the atoms. The expression of the interaction energy, as is discussed in detail in this thesis, typically contains a logarithmic factor of the form ln(1-x). Formerly, in evaluating the interaction energies, this factor is customarily series-expanded and truncated in the leading order with certain assumptions. This thesis explores the effect of using the full expression, which we refer to as the non-perturbative (or, the non-expanded) theory, analytically wherever possible as well as numerically. The combined application of the finite-size theory and the non-perturbative theory results in as much as 100% correction in the self energy of atoms in vacuum. This may give rise to significant physical consequences, for example, in the permeabilities of atoms across dielectric membranes. The non-perturbative theory, in addition, exhibits interesting behaviour in the retarded resonance interaction.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2016. 58 p.
Keyword
finite-size effects, non-perturbative theory, van der Waals and Casimir Polder forces
National Category
Physical Sciences
Research subject
Materials Science and Engineering
Identifiers
urn:nbn:se:kth:diva-186225 (URN)978-91-7595-981-8 (ISBN)
Presentation
2016-05-23, N111 Kuben, MSE ITM, Brinellvägen 23, KTH-Campus, Stockholm, 13:15 (English)
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Supervisors
Note

QC 20160509

Available from: 2016-05-09 Created: 2016-05-05 Last updated: 2016-05-09Bibliographically approved

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Thiyam, PriyadarshiniPersson, Clas

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