Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism-Reference-Cited by-同舟云学术

Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism

Published:2011-08-12 Issue:9 Volume:248 Page:1989-2007
ISSN:0370-1972
Container-title:physica status solidi (b)
language:en
Short-container-title:Phys. Status Solidi B

Author:

Lewis James P.,Jelínek Pavel,Ortega José,Demkov Alexander A.,Trabada Daniel G.,Haycock Barry,Wang Hao,Adams Gary,Tomfohr John K.,Abad Enrique,Wang Hong,Drabold David A.

Funder

National Science Foundation

US Department of Energy

Publisher

Wiley

Subject

Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/pssb.201147259/fullpdf

Reference175 articles.

1. Atomic forces from electronic energies via the Hellmann-Feynman theorem, with application to semiconductor (110) surface relaxation

2. Ab initiomulticenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems

3. Norm-Conserving Pseudopotentials

4. Pseudopotentials that work: From H to Pu

5. Simplified method for calculating the energy of weakly interacting fragments

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