Spatially resolved characterization of electron localization and delocalization in molecules: Extending the Kohn‐Resta approach

Astakhov Andrey A.; Tsirelson Vladimir G.

摘要

Abstract >In this work, the electron organization of many‐electron systems is considered in a context of the linear response theory extending the Kohn‐Resta view on electron localization phenomenon. The variances of the local electronic position and momentum operators are linked via the fluctuation‐dissipation theorem to the optical conductivity tensor, that is, to observable spectroscopic properties. It is demonstrated that the electron position variance density quantifies a degree of electron delocalization in each point of position space and distinguishes between metallic and insulating character of electronic states. The momentum variance density estimates a degree of electron localization and is immediately related to electronic kinetic energy density in the Ghosh‐Berkowitz‐Parr form giving a physical interpretation to the later. We show that electron localization and delocalization phenomena in atoms and molecules can be probed by external electric field. This approach provides new electronic descriptors distinguishing and quantifying chemical bonds of different types. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“main”> <标题类型=“main”>抽象</ title> >在这项工作中，在延伸Kohn的线性响应理论的背景下考虑许多电子系统的电子组织电子定位现象的RESTA视图。局部电子位置和动量操作员的差异通过波动耗散定理与光导张量，即观察到的光谱性质相关联。结果证明，电子位置方差密度在每个位置空间中量化的电子临床程度，并区分电子状态的金属和绝缘特征。动量方差密度估计电子定位程度，并且立即与Ghosh-Berkowitz-Parr形式中的电子动能密度相关，以便后来的物理解释。我们表明，外部电场可以探测原子和分子中的电子定位和分子化现象。该方法提供了新的电子描述符，区分和定量不同类型的化学键。</ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第14期</span><b style="margin: 0 2px;">|</b><span>共16页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Astakhov Andrey A.&option=202" target="_blank" rel="nofollow">Astakhov Andrey A.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Tsirelson Vladimir G.&option=202" target="_blank" rel="nofollow">Tsirelson Vladimir G.;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Mendeleev University of Chemical Technology Quantum Chemistry Department The Institute of Chemistry and Problems of Sustainable Development Miusskaya Sq. 9Moscow 125047 Russia;</p> <p>Mendeleev University of Chemical Technology Quantum Chemistry Department The Institute of Chemistry and Problems of Sustainable Development Miusskaya Sq. 9Moscow 125047 Russia;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1186.html" title="物理化学（理论化学）、化学物理学">物理化学（理论化学）、化学物理学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=chemical bonding analysis&option=203" rel="nofollow">chemical bonding analysis;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=electron localization&option=203" rel="nofollow">electron localization;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=fluctuation‐dissipation theorem&option=203" rel="nofollow">fluctuation‐dissipation theorem;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=linear response&option=203" rel="nofollow">linear response;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=local and weak values&option=203" rel="nofollow">local and weak values;</a> </p> <div class="translation"> 机译：化学键合分析;电子定位;波动耗散定理;线性响应;地方和弱价值; 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L.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Tanzella, F. 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tuijian_authcolor"> . 张伟伟</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=毛政元&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,毛政元</a> <span> <a href="/journal-cn-4943/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 国土资源遥感 </a> </span> <span> . 2012</span><span>,第001期</span> </span> </div> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/academic-journal-cn_acta-physico-chimica-sinica_thesis/0201251105545.html">气相电子衍射和SF6分子中电荷的再分布</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=金安定&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 金安定</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=朱小蕾&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,朱小蕾</a> <span> <a href="/journal-cn-15102/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 物理化学学报 </a> </span> <span> . 1995</span><span>,第007期</span> </span> </div> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/academic-journal-cn_journal-nanjing-normal-university-natural-science-edition_thesis/0201250296284.html">气相电子衍射和SF6分子中电荷再分布</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=金安定&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 金安定</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=朱小蕾&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,朱小蕾</a> <span> <a href="/journal-cn-4678/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 南京师大学报（自然科学版） </a> </span> <span> . 1990</span><span>,第002期</span> </span> </div> </li> <li> <div> <b>6. </b><a class="enjiyixqcontent" href="/academic-conference-cn_meeting-39391_thesis/020222420876.html">C60分子中超快电子动力学过程的相干调控</a> <b>[C]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=李辉&option=202" 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