Physics – Condensed Matter – Materials Science
Scientific paper
2004-09-15
Chem. Phys. Lett. 394 (2004), 96
Physics
Condensed Matter
Materials Science
4 pages, 1 figure
Scientific paper
10.1016/j.cplett.2004.06.118
Solid mercury in the rhombohedral structure is unbound within the self-consistent field (Hartree-Fock) approximation. The metallic binding is entirely due to electronic correlations. We determine the cohesive energy of solid mercury within an ab-initio many-body expansion for the correlation part. Electronic correlations in the $5d$ shell contribute about half to the cohesive energy. Relativistic effects are found to be very important. Very good agreement with the experimental value is obtained.
Paulus Beate
Rosciszewski Krzysztof
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