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The extended Hulburt–Hirschfelder‐long‐range oscillator model for direct‐potential‐fit analysis

机译：直接潜能分析的扩展Hulburt-Hirschfelder-远程振荡器模型

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Abstract >In the present work, an extended Hulburt–Hirschfelder oscillator model is proposed as a means of simplifying potential energy functions for direct‐potential‐fit analyses. The new potential energy function is joined smoothly to the long‐range inverse‐power dispersion energy expression. The new model is employed in direct‐potential‐fits using spectroscopic line positions that involve the ground electronic states of the principal isotopologues of hydrogen iodide and carbon monoxide, and the ground and first singlet‐sigma excited states of hydrogen fluoride and hydrogen chloride. The present methodology is found to lead to compact, flexible, and robust representations for the potential energy that compare favorably with the results of past work where more complicated models were employed. </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> >在本作当前工作中，提出了一个扩展的Hulburt-hirschfelder振荡器模型作为简化直接电位的潜在能量功能的方法 -fit分析。新的势能功能顺利地连接到远程反功率分散能量表达。使用光谱线位置采用新模型，其涉及碘化氢和一氧化碳的主要同位素的地面电子状态，以及氟化氢和氯化氢的地面和第一单秒形激发态。发现本方法导致潜在能量的紧凑，柔性和强大的表示，这些能量与过去的工作结果相比，在使用更复杂的模型的情况下比较。</ 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4期</span><b style="margin: 0 2px;">|</b><span>共22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=Hajigeorgiou Photos G.&option=202" target="_blank" rel="nofollow">Hajigeorgiou Photos 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>Centre for Primary Care and Population HealthSchool of Medicine University of Nicosia 21 Ilia Papakyriakou Engomi P.O. Box 240051700 Nicosia Cyprus;</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=analytical diatomic potential&option=203" rel="nofollow">analytical diatomic potential;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=CO&option=203" rel="nofollow">CO;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=direct‐potential‐fit&option=203" rel="nofollow">direct‐potential‐fit;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=extended Hulburt–Hirschfelder oscillator&option=203" rel="nofollow">extended Hulburt–Hirschfelder oscillator;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=HCl&option=203" rel="nofollow">HCl;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=HF&option=203" rel="nofollow">HF;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=HI&option=203" rel="nofollow">HI;</a> </p> <div class="translation"> 机译：分析硅藻势;CO;直接势合;扩展Hulburt-hirschfelder振荡器;HCl;HF;嗨; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704019755723.html">The extended Hulburt–Hirschfelder‐long‐range oscillator model for direct‐potential‐fit analysis</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Hajigeorgiou Photos G.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Hajigeorgiou Photos G. </a> <a href="/journal-foreign-21753/" target="_blank" rel="nofollow" class="tuijian_authcolor">International Journal of Quantum Chemistry .</a> <span>2018</span><span>,第4期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：直接潜能分析的扩展Hulburt-Hirschfelder-远程振荡器模型</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704012467571.html">Analysis and simulation of extended hydrodynamic models: The multi-valley Gunn oscillator and MESFET symmetries</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Chen GQ.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Chen GQ.,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Shu CW.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Shu CW.,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Jerome JW.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Jerome JW. </a> <a href="/journal-foreign-32063/" target="_blank" rel="nofollow" class="tuijian_authcolor">VLSI Design .</a> <span>1998</span><span>,第1a4期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：扩展流体力学模型的分析和仿真：多谷耿氏振荡器和MESFET对称性</span> </p> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704022984164.html">Studying Unimodal, Bimodal, PDI and Bimodal-PDI Variants of Multiple Soil Water Retention Models: I. 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extending in adjustment direction and swivel plate arranged at exterior of fitting plate with hole drilled on swivel plate</a> <b>[P]</b> . <span> 外国专利：  DE102004008657B3 </span> <span> . 2005-08-25</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：调整装置对于家具配件，在家具配件的安装板上有沿调节方向延伸的长孔，旋转板布置在安装板的外部，旋转板上钻有孔 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130426778262.html">Connection fitting for e.g. separable bow, has locking element arranged at bolt section, and undercuts arranged at head areas of two fitting parts and extend in direction of shaft areas</a> <b>[P]</b> . <span> 外国专利：  DE102009019457B3 </span> <span> . 2010-11-04</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> 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