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Ab-Initio Computation of Vibrational Entropy in Ordered and Disordered Ni_3Al
Ab-Initio Computation of Vibrational Entropy in Ordered and Disordered Ni_3Al
1997
Axel van de Walle
Umesh V. Waghmare
Gerbrand Ceder
Gerardo D. Garbulsky
Keywords:
Density of states
Computation
Computational chemistry
Ab initio
Mathematics
Cluster expansion
Correction
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