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Showing 2015 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2015★ 73 cited
Strongly Constrained and Appropriately Normed Semilocal Density Functional
Jianwei Sun, Adrienn Ruzsinszky, John P. Perdew
The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density…
cond-mat.mtrl-sci2015★ 33 cited
General Microscopic Model of Magnetoelastic Coupling from First-Principles
X. Z. Lu, Xifan Wu, H. J. Xiang
Magnetoelastic coupling, i.e., the change of crystal lattice induced by a spin order, is not only scientifically interesting, but also technically important. In this work, we propo…