کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
502233 | 863695 | 2011 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A primal–dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: A primal–dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix A primal–dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix](/preview/png/502233.png)
چکیده انگلیسی
The quantum many-body problem can be rephrased as a variational determination of the two-body reduced density matrix, subject to a set of N-representability constraints. The mathematical problem has the form of a semidefinite program. We adapt a standard primal–dual interior point algorithm in order to exploit the specific structure of the physical problem. In particular the matrix-vector product can be calculated very efficiently. We have applied the proposed algorithm to a pairing-type Hamiltonian and studied the computational aspects of the method. The standard N-representability conditions perform very well for this problem.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 182, Issue 6, June 2011, Pages 1235–1244
Journal: Computer Physics Communications - Volume 182, Issue 6, June 2011, Pages 1235–1244
نویسندگان
Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Patrick Bultinck, Stijn De Baerdemacker,