computational chemistry
长程校正泛函
Long-range corrected functionalA class of density functional theory (DFT) approximations designed to accurately describe both ground and excited states by incorporating exact exchange at long-range separations. / 一类密度泛函理论（DFT）近似方法，旨在通过在长程分离处引入精确交换，准确描述基态和激发态。
- Knowledge type
- 数学理论
- First proposed or discovered
- Proposer
- Turkey Farm member
- Creator
- 农场主
- Last updated
- 2026-10-29 23:05:56
Sub-knowledge points
Self-interaction error correctionCharge transfer excitation accuracy
Higher-order knowledge points
Time-dependent density functional theory (TDDFT)Density functional theory (DFT)
Main parameters and performance indicators
exchange-correlation functional: specific type (e.g., LC-ωPBE)range-separation parameter: ω
Open problems
No unresolved problem recorded yet
Related literature
ranked by community starsTuning the long-range corrected functional for accurate excited-state spectroscopic, charge transport, and interfacial insights into D-π-D type hole transport materialsOpen source
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Creation and modification trail
1 recordsRecord title: Long-range corrected functional.
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