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Minnesota Functionals : ウィキペディア英語版 | Minnesota Functionals
Minnesota Functionals (M''yz'') are a group of approximated exchange-correlation energy functionals in density functional theory (DFT). They are developed by the group of Prof. Donald Truhlar at the University of Minnesota. These functionals are based on meta-GGA approximations, since they all include terms that depend on the kinetic energy density, and are all based on flexible functional forms parametrized on high-quality benchmark databases. These functionals are immensely useful for traditional quantum chemistry and solid-state physics calculations. The M''yz'' functionals are widely used and tested in the quantum chemistry community, and are available in a large number of popular quantum chemistry computer programs. ==Family of functionals==
抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「Minnesota Functionals」の詳細全文を読む
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