Organization:
Alexa Crawls
Starting in 1996,
Alexa Internet has been donating their crawl data to the Internet Archive. Flowing in every day, these data are added to the
Wayback Machine after an embargo period.
Starting in 1996,
Alexa Internet has been donating their crawl data to the Internet Archive. Flowing in every day, these data are added to the
Wayback Machine after an embargo period.
Tight-Binding parameters for the Elements
Applications of
a new tight-binding total energy method for transition and noble
metals: Elastic constants, vacancies, and surfaces of monatomic
metals [Phys. Rev. B 54, 4519-30
(1996)], by Michael J.
Mehl and Dimitrios A.
Papaconstantopoulos and other papers
demonstrate a method for obtaining tight-binding parameters which
accurately reproduce the equations of state, elastic constants,
vacancy formation energies, phonon frequencies, and surface
energies for the elements highlighted in this periodic table. Check
our parametrization notes and references for information on how
to use these parameters.
Doing calculations of crystalline total energies with our
tight-binding parameters? Pre-defined K-point meshes for several common
lattices are now available.
Publications using our Tight-Binding
programs
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| Click on the button above to find the available binary compound
parameter sets |
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