First Principles Molecular Dynamics Simulations Using Density-Functional Theory

December 1, 2002

Book Chapter

First Principles Molecular Dynamics Simulations Using Density-Functional Theory

Abstract

First Principles Molecular Dynamics Simulations Using Density-Functional Theory

Revised: August 17, 2010 | Published: December 1, 2002

Citation

Valiev M., E.J. Bylaska, A. Gramada, and J.H. Weare. 2002. First Principles Molecular Dynamics Simulations Using Density-Functional Theory. In Reviews of Modern Quantum Chemistry: A Celebration of the Contributions of Robert G Parr. Singapore, River Edge, New Jersey:World Scientific Publishing Company, Inc. PNNL-SA-35277.