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"Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess ..."
Valentin V. Karasiev, Travis Sjostrom, Samuel B. Trickey (2014)
- Valentin V. Karasiev, Travis Sjostrom, Samuel B. Trickey:
Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso. Comput. Phys. Commun. 185(12): 3240-3249 (2014)
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