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Evidence for Low‐Temperature Melting of Mercury owing to Relativity
Author(s) -
Calvo Florent,
Pahl Elke,
Wormit Michael,
Schwerdtfeger Peter
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201302742
Subject(s) - diatomic molecule , mercury (programming language) , excited state , melting temperature , theory of relativity , monte carlo method , computer science , physics , theoretical physics , statistical physics , molecule , materials science , atomic physics , quantum mechanics , mathematics , statistics , programming language , composite material
An old problem solved : Monte Carlo simulations using the diatomic‐in‐molecule method derived from accurate ground‐ and excited‐state relativistic calculations for Hg 2 show that the melting temperature for bulk mercury is lowered by 105 K, which is due to relativistic effects.