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Calculations for millions of atoms with density functional theory: linear scaling shows its potential

✍ Scribed by Bowler, D R; Miyazaki, T

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Simulations of minerals using density-fu

✍ M. S. Craig; M. C. Warren; M. T. Dove; J. D. Gale; D. Sanchez-Portal; P. Ordejon 📂 Article 📅 2004 🏛 Springer-Verlag 🌐 English ⚖ 382 KB

Calculation of Vibrational Spectra of Li

✍ Magdó, Ildikó; Németh, Károly; Mark, Franz; Hildebrandt, Peter; Schaffner, Kurt 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 160 KB

Accurate calculation of transport proper

✍ Sancho-García, J. C.; Pérez-Jiménez, A. J. 📂 Article 📅 2008 🏛 American Institute of Physics 🌐 English ⚖ 495 KB

Theory of variational calculation with a

✍ Kristyan, Sandor 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 452 KB