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Augmented Symmetry Approach to the DFT Simulations of ...
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由 M Wojciechowski 著作2016被引用 2 次 — The approach is tested for the reference chromium-based rings , and , and a good agreement with the results of the previous standard studies is reached with the ...
Augmented Symmetry Approach to the DFT Simulations of ...
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Augmented Symmetry Approach to the DFT Simulations of the Chromium-Based Rings. January 2016; Lecture Notes in Computer Science 9574:321. DOI:10.1007/978-3-319 ...
Applicability of the DFT Augmented Symmetry Approach to ...
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由 W Michał 著作2016被引用 2 次 — Brzostowski, G.Kamieniarz: Augmented Symmetry Approach to the DFT Simulations of the Chromium-Based Rings, in: R. Wyrzykowski et al. (ed.) Parallel Processing ...
DFT augmented symmetry approach applications to ...
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DFT augmented symmetry approach applications to simulations of the chromium-based rings: cross-validation using the PBE and B3LYP functionals. Michał ...
Applicability of the DFT Augmented Symmetry Approach to ...
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2016年6月19日 — Applicability of the DFT Augmented Symmetry Approach to Simulations of the Chromium-based Rings: Cross-validation Using the PBE Functional.
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由 B Brzostowski 著作 — In this paper we study electronic and magnetic proper- ties of Cr8F8(Piv)16 molecular ring (in short Cr8) using augmented symmetry (AS) approach [14, 15] and ...
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Abstract: We present comprehensive convergence and accuracy tests for predictions of the augmented symmetry approach suggested to reduce computational ...
Augmented Symmetry Approach to the DFT Simulations of ...
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Bibliographic details on Augmented Symmetry Approach to the DFT Simulations of the Chromium-Based Rings.
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Applicability of the DFT Augmented Symmetry Approach to Simulations of the Chromium-based Rings : Cross-validation Using the PBE Functional. Autorzy.
Chromium-based rings within the DFT and Falicov–Kimball ...
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... rings from broken-symmetry calculations within density functional theory ... Augmented Symmetry Approach to the DFT Simulations of the Chromium-Based Rings.