کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7832159 | 1503289 | 2007 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical Analysis of Two Reconstruction Schemes of Reduced Density Matrices
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The effectiveness of the approach for systematical reconstruction of higher order reduced density matrices with lower order ones, which was developed by Chen (Science in China B, 2006, 49: 402), was compared theoretically with that of Mazziotti's method through Harris model, by omitting the cumulant terms 3ÎM, 4ÎM in the latter method and the normal product terms 3Î, 4Î in the former method, it was found that the errors from both approaches were comparable. As a better approximation, if only fourth-order terms 4ÎM and 4Î in both methods are neglected whereas the third-order terms 3ÎM and 3Î are computed from their cor-responding fourth-order terms 4ÎM and 4Î, respectively, through contractions, the results calculated with Chen's approach not only have the correct signs but also are very close to the exact normal products 3Î whereas some of the results calculated with Mazziotti's method do not even have the correct signs with respect to the exact cumulants 3ÎM.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Acta Physico-Chimica Sinica - Volume 23, Issue 4, April 2007, Pages 543-548
Journal: Acta Physico-Chimica Sinica - Volume 23, Issue 4, April 2007, Pages 543-548
نویسندگان
Xinxiu Gao, Feiwu Chen,