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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">mrisel</journal-id><journal-title-group><journal-title xml:lang="en">Magnetic Resonance in Solids</journal-title><trans-title-group xml:lang="ru"><trans-title>Magnetic Resonance in Solids</trans-title></trans-title-group></journal-title-group><issn pub-type="epub">2072-5981</issn><publisher><publisher-name>Kazan Federal University</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.26907/mrsej-19414</article-id><article-id custom-type="elpub" pub-id-type="custom">mrisel-76</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>Статьи</subject></subj-group></article-categories><title-group><article-title>Quantum cellular automata: theoretical study of bistable cells for molecular computing</article-title><trans-title-group xml:lang="ru"><trans-title></trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Tsukerblat</surname><given-names>B.</given-names></name></name-alternatives><bio xml:lang="en"><p>Beer-Sheva; Ariel</p></bio><email xlink:type="simple">tsuker@bgu.ac.il</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Palii</surname><given-names>A.</given-names></name></name-alternatives><bio xml:lang="en"><p>Chernogolovka, Moscow Region; Chisinau, Moldova</p></bio><xref ref-type="aff" rid="aff-2"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Rybakov</surname><given-names>A.</given-names></name></name-alternatives><bio xml:lang="en"><p>Chisinau; Dolgoprudny, Moscow Region, Russia</p></bio><xref ref-type="aff" rid="aff-3"/></contrib></contrib-group><aff xml:lang="en" id="aff-1"><institution>Department of Chemistry, Ben-Gurion University of the Negev; Ariel University</institution><country>Israel</country></aff><aff xml:lang="en" id="aff-2"><institution>Institute of Problems of Chemical Physics; Institute of Applied Physics, Academy of Sciences of Moldova</institution><country>Russian Federation</country></aff><aff xml:lang="en" id="aff-3"><institution>Institute of Applied Physics, Academy of Sciences of Moldova; Moscow Institute of Physics and Technology</institution><country>Russian Federation</country></aff><pub-date pub-type="collection"><year>2019</year></pub-date><pub-date pub-type="epub"><day>06</day><month>06</month><year>2019</year></pub-date><volume>21</volume><issue>4</issue><issue-title>SPECIAL ISSUE dedicated to Boris Z. Malkin's 80th birthday</issue-title><elocation-id>19414 (7 pp.)</elocation-id><permissions><copyright-statement>Copyright &amp;#x00A9; Tsukerblat B., Palii A., Rybakov A., 2024</copyright-statement><copyright-year>2024</copyright-year><copyright-holder xml:lang="ru">Tsukerblat B., Palii A., Rybakov A.</copyright-holder><copyright-holder xml:lang="en">Tsukerblat B., Palii A., Rybakov A.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://www.mrsej.ru/jour/article/view/76">https://www.mrsej.ru/jour/article/view/76</self-uri><abstract><p>The article is devoted to the theoretical study of the four-site cells as the basic units in the architecture of quantum-dot or molecular cellular automata. The functional characteristics of two possible compositions of square cells for quantum cellular automata are compared. We analyze the properties of the tetrameric cells composed of two isolated one-electron dimers (half-cells) and the cells based on the bi-electron tetramers (full cells). The inter-site Coulomb interactions and the electron transfer processes are taken into account as well as the external field of the neighboring cell. The difference in the transfer pathways is shown to result in a more abrupt nonlinear cell-cell response function for the double-dimer arrangement of the charge containers. This result shows that the double-dimeric cell is preferable to design quantum cellular automata devices.</p></abstract><kwd-group xml:lang="en"><kwd>quantum cellular automata</kwd><kwd>mixed-valence clusters</kwd><kwd>cell-cell response</kwd><kwd>Hubbard Hamiltonian</kwd></kwd-group><funding-group><funding-statement xml:lang="en">Support from the Ministry of Science and Higher Education of the Russian Federation (Agreement No. 14.W03.31.0001 Institute of Problems of Chemical Physics, Chernogolovka) is acknowledged.</funding-statement></funding-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Lent C.S., Tougaw P.D., Porod W., Bernstein G.H. Nanotechnology 4, 49 (1993)</mixed-citation><mixed-citation xml:lang="en">Lent C.S., Tougaw P.D., Porod W., Bernstein G.H. 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