Structural properties of transition-metal clusters via force-biased Monte Carlo and ab initio calculations: A comparative study | Zendy

Dil K. Limbu | Zendy; Raymond AttaFynn | Zendy; D. A. Drabold | Zendy; Stephen R. Elliott | Zendy; Parthapratim Biswas | Zendy

Open Access

Structural properties of transition-metal clusters via force-biased Monte Carlo and ab initio calculations: A comparative study

Author(s) -

Dil K. Limbu,

Raymond AttaFynn,

D. A. Drabold,

Stephen R. Elliott,

Parthapratim Biswas

Publication year - 2017

Publication title -

physical review. b./physical review. b

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.78

H-Index - 465

eISSN - 2469-9969

pISSN - 2469-9950

DOI - 10.1103/physrevb.96.174208

Subject(s) - monte carlo method , cluster (spacecraft) , atom (system on chip) , relaxation (psychology) , coordination number , bond length , physics , electronic structure , quantum monte carlo , statistical physics , molecular physics , atomic physics , materials science , condensed matter physics , molecule , ion , quantum mechanics , computer science , psychology , social psychology , statistics , mathematics , embedded system , programming language

Dil K. Limbu,1,* Raymond Atta-Fynn,2,† David A. Drabold,3,‡ Stephen R. Elliott,4,§ and Parthapratim Biswas1,‖ 1Department of Physics and Astronomy, The University of Southern Mississippi, Hattiesburg, Mississippi 39406, USA 2Department of Physics, University of Texas at Arlington, Arlington, Texas 76019, USA 3Department of Physics and Astronomy, Ohio University, Athens, Ohio 45701, USA 4Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom (Received 17 September 2017; published 16 November 2017)

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