Abstract
This chapter presents an introduction to first-principles simulations of extended systems. The chapter focuses on condensed matter systems with the characteristics: (i) under the actual conditions, they are solid, which means that atomic diffusion is several orders of magnitude slower that the typical experimental observation times; (ii) their linear dimensions are bigger than some tens of nm and show bulk like atomic densities. Glassy or fully disordered solids exhibiting aging phenomena do not generally satisfy condition (i). They are considered as special cases of solids, and seen as they are in equilibrium on the shorter time scales. Other systems at the nanometric scale, such as macromolecules, which do not satisfy conditions (ii), are shortly discussed in order to point out the specific differences with respect to extended systems, which constitutes the main object of the chapter.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
