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LuPeng5366新蟲(chóng) (著名寫(xiě)手)
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論文初審意見(jiàn)回來(lái)，但沒(méi)有看懂是什么意思，請(qǐng)大家?guī)兔χ更c(diǎn)個(gè)下，謝謝！ 已有6人參與
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論文初審意見(jiàn)回來(lái)，但沒(méi)有看懂是什么意思，不知道該怎么處理，請(qǐng)大家?guī)兔χ更c(diǎn)個(gè)下，謝謝！ Reviewer #1: In the submitted manuscript the authors report a systematic study about the structures, stabilities and electronic properties of several small pure and binary clusters composed by Ag and Cr. The strategy followed, with respect to properties and indices of stability etc is well established the last decade by numerous studies devoted in small and medium sized clusters. The presentation of the obtained results is clear and helps the reader to follow the reported results. *Everything would be fine if the clusters considered were of trivial electronic structure* The systems chosen are very hard to treat cases. Some of those bear electronic structures which cannot be treated by a monodeterminal method. Especially the smallest members of this work (dimers and trimmers) are notorious in the community about their ease of treating. For instance Cr2 is a very well known case of a dimer bearing large multi- referential character accounting to 47% of the total wave function. I performed personally the T1 diagnostic as implemented in G09 (the same goes for g03) using the same geometry and basis set used in the submitted study and I found that the respective quantity is more than 2 times larger than the proposed limit of (0.02) The same goes for some of the three-atomic systems presented. Maybe the authors are aware of this essential problem since as it is clarified in the text this study focuses more on the obtained trends than in presenting values that could be compared to the literature. *However, it is also true that reliable trends can be only obtained from reliable methods*. For this reason I cannot propose this paper to be accepted in its current form, even if the trends revealed might prove similar to those obtained from more suitable methods. In a future attempt on such systems the authors should check the multi-referential character of each cluster plus the stability of each the wavefuctions used. Some of the larger clusters considered may not suffer from the effects described above, thus, the obtained results might prove reliable. There is additional documentation related to this decision letter. To access the file(s), please click the link below. You may also login to the system and click the 'View Attachments' link in the Action column. |
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感謝參與，應(yīng)助指數(shù) +1
LuPeng5366: 金幣+100, ★有幫助, 5 2014-04-19 12:25:41
感謝參與，應(yīng)助指數(shù) +1
LuPeng5366: 金幣+100, ★有幫助, 5 2014-04-19 12:25:41
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4樓2014-04-18 19:39:57
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【答案】應(yīng)助回帖
感謝參與，應(yīng)助指數(shù) +1
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1、審稿人認(rèn)為樓主的表征，存在問(wèn)題，不可靠； Some of those bear electronic structures which cannot be treated by a monodeterminal method. 2、有些數(shù)據(jù)不可靠 I performed personally the T1 diagnostic as implemented in G09 (the same goes for g03) using the same geometry and basis set used in the submitted study and I found that the respective quantity is more than 2 times larger than the proposed limit of (0.02)。 3、樓主需要進(jìn)一步做的工作（做了也不保證接受） In a future attempt on such systems the authors should check the multi-referential character of each cluster plus the stability of each the wavefuctions used. Some of the larger clusters considered may not suffer from the effects described above, thus, the obtained results might prove reliable. 4、最后還有另外的審稿意見(jiàn)在 decision letter里。打開(kāi)相應(yīng)的鏈接看看。 總體來(lái)講，可以認(rèn)為審稿人對(duì)樓主的工作基本持否定的態(tài)度，因此在此期刊發(fā)表的前景比較不樂(lè)觀，建議先修改后再短時(shí)間內(nèi)觀察看看，不行立即他投。 |
6樓2014-04-18 20:13:17
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贊 [ 發(fā)自小木蟲(chóng)客戶(hù)端 ] |
7樓2014-04-18 20:17:46
感謝參與，應(yīng)助指數(shù) +1
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8樓2014-04-18 22:02:59
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9樓2014-04-19 12:21:48
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