Orbital-free density functional theory
In computational chemistry, orbital-free density functional theory is a quantum mechanical approach to electronic structure determination which is based on functionals of the electronic density. It is most closely related to the Thomas–Fermi model. Orbital-free density functional theory is, at present, less accurate than Kohn–Sham density functional theory models, but has the advantage of being fast, so that it can be applied to large systems.
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Orbital-free density functional theory
In computational chemistry, orbital-free density functional theory is a quantum mechanical approach to electronic structure determination which is based on functionals of the electronic density. It is most closely related to the Thomas–Fermi model. Orbital-free density functional theory is, at present, less accurate than Kohn–Sham density functional theory models, but has the advantage of being fast, so that it can be applied to large systems.
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In computational chemistry, or ...... n be applied to large systems.
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計算化学において、オービタルフリー密度汎関数理論(オービタル ...... 長所を有しているため、大きな系に対して適用することができる。
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In computational chemistry, or ...... n be applied to large systems.
@en
計算化学において、オービタルフリー密度汎関数理論(オービタル ...... 長所を有しているため、大きな系に対して適用することができる。
@ja
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Orbital-free density functional theory
@en
オービタルフリー密度汎関数理論
@ja