Ab Initio Molecular Dynamics: Recent Progresses And Limitations

In this paper, developments in ab initio molecular dynamics (MD) based on the density functional theory (DFT) are discussed.

Author

G Kresse

Origin

University Wien, Austria

Journal Title

J Non-Cryst Solids 312-314 2002 52-59

Sector

Special Glass

Class

S 2891

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Journal Title J Non-Cryst Solids 312-314 2002 52-59

Class S 2891

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