Total-energy method based on the exact muffin-tin orbitals theory
By Levente Vitos. 2001
492 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/fce7e95701152c5176e30ced11ebc083a7a13b7c
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In Atomic and Molecular Physics, and Optics
- H. Kato
- Weicheng Heng
- Dierk Raabe
- Blazej Grabowski
- Byeong-Joo Lee
- Xiaoqing Li
- Liang-Feng Huang
- Jian Zhang
In Electrical and Electronic Engineering
- H. Kato
- Weicheng Heng
- Dierk Raabe
- Blazej Grabowski
- Byeong-Joo Lee
- Xiaoqing Li
- Liang-Feng Huang
- Jian Zhang
In Materials Chemistry
Citations in the corpus
- Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one (2015, methodology): “We therefore resort in the present work to the exact muffin-tin orbitals (EMTO) method [32–35] within the framework of density functional theory (DFT) [36,37].”
- Origin of shear induced β to ω transition in Ti–Nb-based alloys (2015, methodology): “The 0 K total energy was calculated using the exact muffin-tin orbitals (EMTO) method [17–19], where the chemical disorder was treated by coherent potential approximation [20,21].”
- Novel Co-rich high entropy alloys with superior tensile properties (2019, methodology): “[21], and the Kohn–Sham equations were solved using the exact muffin-tin orbitals method (EMTO) [22,23].”