Testing the ab initio quantum‐scattering calculations for the D        <sub xmlns='http://www.wiley.com/namespaces/wiley'>2</sub>2        –He benchmark system with stimulated Raman spectroscopy

Martínez Raúl Z.; Bermejo Dionisio; Thibault Franck; Wcis?o Piotr

摘要

Abstract > This work presents a comparison between experimental and calculated values for the collisional line broadenings and shifts of the <fi>S</fi> <sub>0</sub> (0), <fi>S</fi> <sub>0</sub> (1), and <fi>S</fi> <sub>0</sub> (2) lines of the rotational Raman spectrum of D <sub>2</sub> perturbed by He at 77, 195, and 300?K. The pure rotational Raman spectra were obtained by means of a stimulated Raman spectroscopy experimental setup. Close coupling dynamical calculations were performed on the most recent ab initio H <sub>2</sub> –He potential energy surface. The resulting scattering matrix elements implemented in the general Hess method allow us to provide pressure broadening, pressure shifting, and Dicke coefficients from 10 to 400?K. Experimental and calculated values agree well with each other. </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 XMLNS =“http://www.wiley.com/namespaces/wiley”type =“main”xml：lang =“en”xml：id =“jrs5391-abs-abs-0001”> <标题类型=“main” >摘要</ title> >本工作介绍了碰撞线宽的实验和计算值之间的比较和<fi> s </ fi> <sub> 0 </ sub>（0）的换档，<fi > s </ fi> <sub> 0 </ sub>（1），</ fi> <sub> 0 </ sub>（2）D <sub> 2的旋转拉曼光谱线</ sub>扰动他77,195和300？k。通过刺激的拉曼光谱实验装置获得纯旋转拉曼光谱。在最近的AB Initio H <Sub> 2 </ Sub> -HE电位能表面上进行紧密耦合动力学计算。在通用HESS方法中实现的所得到的散射矩阵元件允许我们提供10至400 k的压力展宽，压力换档和Dicke系数。实验和计算值彼此一致。 </ p> </ abstract> </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-35645/'>《Journal of Raman Spectroscopy: An International Journal for Original Work in All Aspects of Raman Spectroscopy, Including Higher Order Processes, and Also Brillouin- and Rayleigh Scattering》</a> <b style="margin: 0 2px;">|</b><span>2018年第8期</span><b style="margin: 0 2px;">|</b><span>共11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=Martínez Raúl Z.&option=202" target="_blank" rel="nofollow">Martínez Raúl Z.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Bermejo Dionisio&option=202" target="_blank" rel="nofollow">Bermejo Dionisio;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Thibault Franck&option=202" target="_blank" rel="nofollow">Thibault Franck;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Wcis?o Piotr&option=202" target="_blank" rel="nofollow">Wcis?o Piotr;</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>Instituto de Estructura de la Materia IEM‐CSICSerrano 123 28006 Madrid Spain;</p> <p>Instituto de Estructura de la Materia IEM‐CSICSerrano 123 28006 Madrid Spain;</p> <p>Institut de Physique de Rennes UMR CNRS 6251Université de Rennes 1 Campus de BeaulieuBat.11B F‐35042 Rennes France;</p> <p>Institute of Physics Faculty of Physics Astronomy and InformaticsNicolaus Copernicus UniversityGrudziadzka 5 87‐100 Torun Poland;</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/4724.html" title="光谱学">光谱学;</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=D 2 –He&option=203" rel="nofollow">D 2 –He;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=pure rotational Raman lines&option=203" rel="nofollow">pure rotational Raman lines;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=pressure broadening and shifting&option=203" rel="nofollow">pressure broadening and shifting;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=stimulated Raman spectroscopy&option=203" rel="nofollow">stimulated Raman spectroscopy;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=quantum scattering calculations&option=203" rel="nofollow">quantum scattering calculations;</a> </p> <div class="translation"> 机译：D 2 -HE;纯旋转拉曼线;压力拓展和移位;刺激拉曼光谱;量子散射计算; </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 >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704025814710.html">Testing the ab initio quantum‐scattering calculations for the D <sub xmlns="http://www.wiley.com/namespaces/wiley">2</sub>2 –He benchmark system with stimulated Raman spectroscopy</a> <b>[J]</b> . <span> <a 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Testing the ab initio quantum‐scattering calculations for the D 22 –He benchmark system with stimulated Raman spectroscopy

摘要

Testing the ab initio quantum‐scattering calculations for the D ₂2 –He benchmark system with stimulated Raman spectroscopy