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PRA审稿意见
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3年前写的文章，因为种种原因，最近才投。对文章有一半贡献的alex再次缺席。
审稿人显然是行家。审稿挺快，一个月不到。
Re: ******
Best Slater-determinant approximation of fermionic wave functions by J. M. Zhang and Norbert J. Mauser
Dear Dr. Zhang,
The above manuscript has been reviewed by one of our referees. Comments from the report appear below for your consideration. When you resubmit your manuscript, please include a summary of the changes made and a brief response to all recommendations and criticisms.
Yours sincerely,
******
Associate Editor
Physical Review A
Email: pra@aps.org
http://journals.aps.org/pra/
PROBLEMS WITH MANUSCRIPT:
The following problems were noted in your manuscript.
* On the basis of its subject matter, an editor has assigned your manuscript to a section of the journal that is different from the one you indicated in your cover letter. Although your choice may also be appropriate, it is our experience that papers of this type generally appear in the section we have assigned.
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Report of the Referee -- ******/Zhang
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In "Best Slater determinant approximation of fermionic wave functions" Zhang and Mauser explore the "best" Slater approximation of fermion wave functions. The paper is well written an appropriate for PRA. However, there are several important points that the authors should address:
(1) Notion of "best": Authors should note the relative nature of the term "best." For example, the Hartree-Fock wave function is often viewed as the best in that it minimizes the ground-state energy. Here the authors discuss the determinant with maximum overlap with the exact wave function.
(2) N-representability: In discussing N-representability in the first paragraph the authors write that only the case m=1 has been recently discovered. The authors should note that recently a systematic procedure for generating the N-repesentability conditions for the ensemble case for m=2 (the 2-RDM) has been derived (see D. A. Mazziotti, Phys. Rev. Lett. 108, 263002 (2012)). Also, approximate N-representability conditions of the 2-RDM have been applied to a variety of systems (for example, D. A. Mazziotti, Chem. Rev. 112, 244 (2012)).
(3) Generalized Pauli constraints (GPC): The GPC, which the authors use, have been recently explored significantly for atoms and molecules. The authors should include references to this recent and relevant literature:
[1] C. Schilling, D. Gross, M. Christandl, Phys. Rev. Lett. 2013, 110, 040404.
[2] C. L. Benavides-Riveros, J. M. Gracia-Bondıa, M. Springborg, Phys. Rev. A 2013, 88, 022508.
[3] R. Chakraborty, D. A. Mazziotti, Phys. Rev. A 2014, 89, 042505. [4] R. Chakraborty, D. A. Mazziotti, Int. J. Quantum Chem. 2015, 115, 1305.
[5] C. Schilling, Phys. Rev. A 2015, 91, 022105.
[6] F. Tennie, V. Vedral, and C. Schilling, arXiv:1509.00358 [quant-ph], 2015.
[7] C. L. Benavides-Riveros, and M. Springborg, Phys. Rev. A 2015, 92, 012512.
[8] C. L. Benavides-Riveros, J. M. Gracia-Bondıa, and M. Springborg,arXiv:1409.6435[quant-ph], 2014.
[9] R. Chakraborty, and D. A. Mazziotti, Phys. Rev. A 2015, 91, 010101.
[10] R. Chakraborty and D. A. Mazziotti, Int. J. Quantum Chem. 2016, 116, 784-790.
(4) Natural orbitals: Although the authors discuss the natural orbitals, they do not include a reference to Lowdin who originally derived the natural orbitals and discussed their properties.
If the authors incorporate the above suggestions into the manuscript, I would recommend it for publication in PRA.
文章最后发表在 Optimal Slater-determinant approximation of fermionic wave functions
Optimal Slater-determinant approximation of fermionic wave functions.pdf
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