Literature DB >> 29185741

Effective Polarizability Models.

Johannes Fiedler1, Priyadarshini Thiyam2,3, Anurag Kurumbail4, Friedrich A Burger1, Michael Walter1,5,6, Clas Persson2,3, Iver Brevik4, Drew F Parsons7, Mathias Boström4, Stefan Y Buhmann1,8.   

Abstract

Theories for the effective polarizability of a small particle in a medium are presented using different levels of approximation: we consider the virtual cavity, real cavity, and the hard-sphere models as well as a continuous interpolation of the latter two. We present the respective hard-sphere and cavity radii as obtained from density-functional simulations as well as the resulting effective polarizabilities at discrete Matsubara frequencies. This enables us to account for macroscopic media in van der Waals interactions between molecules in water and their Casimir-Polder interaction with an interface.

Entities:  

Year:  2017        PMID: 29185741     DOI: 10.1021/acs.jpca.7b10159

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  3 in total

1.  Local-Field Corrections as a Regularization Method for the Spin-Boson Model.

Authors:  J A Crosse
Journal:  Sci Rep       Date:  2019-03-26       Impact factor: 4.379

2.  Assessment of the VDW interaction converting DMAPS from the thermal-motion form to the hydrogen-bonded form.

Authors:  Masae Takahashi; Hiroshi Matsui; Yuka Ikemoto; Makoto Suzuki; Nobuyuki Morimoto
Journal:  Sci Rep       Date:  2019-09-11       Impact factor: 4.379

3.  Reliable Computational Prediction of the Supramolecular Ordering of Complex Molecules under Electrochemical Conditions.

Authors:  Benedikt Hartl; Shubham Sharma; Oliver Brügner; Stijn F L Mertens; Michael Walter; Gerhard Kahl
Journal:  J Chem Theory Comput       Date:  2020-07-08       Impact factor: 6.006

  3 in total

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