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tephoon78木蟲 (正式寫手)
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[交流]
【求助】審稿人關(guān)于密度泛函的問(wèn)題,請(qǐng)幫忙回答一下! 已有4人參與
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in computational method, the authors stated that using TDDFT(PBE0 and B1LYP) for calculation, however, it is curious why both methods were selected. Are there any specificity or advantages indicated in the references. the mor clarification should be given. 這兩泛函,我是看到文獻(xiàn)上使用我才使用的。我在文獻(xiàn)沒(méi)有看到關(guān)于它們特點(diǎn)和優(yōu)點(diǎn)的討論。對(duì)密度泛函理論也不了解,不知道該怎么回答? 請(qǐng)各位蟲子幫忙一下!謝謝了! |
金蟲 (職業(yè)作家)

木蟲 (正式寫手)
鐵桿木蟲 (職業(yè)作家)
站在計(jì)算化學(xué)入門的門檻上

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