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A scheme of numerical solution for three‐dimensional isoelectronic series of hydrogen atom using one‐dimensional basis functions

机译：一维基函数的三维异电子系列氢原子的数值解决方案

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Abstract > The solution of three‐dimensional Schr?dinger wave equations of the hydrogen atoms and their isoelectronic ions (Z?=?1 ? 4) are obtained from the linear combination of one‐dimensional hydrogen wave functions. The use of one‐dimensional basis functions facilitates easy numerical integrations. An iteration technique is used to obtain accurate wave functions and energy levels. The obtained ground state energy level for the hydrogen atom converges stably to ?0.498 a.u. The result shows that the novel approach is efficient for the three‐dimensional solution of the wave equation, extendable to the numerical solution of general many‐body problems, as has been demonstrated in this work with hydrogen anion. </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> >三维SCHR的解压缩氢原子和它们的异形离子的探测器（z？= 1？4）</ i>从一维氢波函数的线性组合获得。 一维基函数的使用有助于易于数值集成。 迭代技术用于获得精确的波函数和能量水平。 所获得的氢原子的地位能级稳定地收敛于 0.498 </ i> a.u。 结果表明，新的方法对于波动方程的三维溶液是有效的，该方法可扩展到一般许多身体问题的数值溶液，如本作氢阴离子的工作中所示。 </ 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-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第19期</span><b style="margin: 0 2px;">|</b><span>共9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=Rahman Faiz Ur&option=202" target="_blank" rel="nofollow">Rahman Faiz Ur;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zhao Rundong&option=202" target="_blank" rel="nofollow">Zhao Rundong;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Sarwono Yanoar Pribadi&option=202" target="_blank" rel="nofollow">Sarwono Yanoar Pribadi;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zhang Rui‐Qin&option=202" target="_blank" rel="nofollow">Zhang Rui‐Qin;</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>Department of PhysicsCity University of Hong Kong Hong Kong Special Administrative RegionChina;</p> <p>Algorithm DivisionBeijing Computational Science Research CentreBeijing 100193 China;</p> <p>Department of PhysicsCity University of Hong Kong Hong Kong Special Administrative RegionChina;</p> <p>Department of PhysicsCity University of Hong Kong Hong Kong Special Administrative RegionChina;</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=ground state&option=203" rel="nofollow">ground state;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=hydrogen atom&option=203" rel="nofollow">hydrogen atom;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=iteration&option=203" rel="nofollow">iteration;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=one‐dimensional basis function&option=203" rel="nofollow">one‐dimensional basis function;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Schr?dinger wave equations&option=203" rel="nofollow">Schr?dinger wave equations;</a> </p> <div class="translation"> 机译：地态;氢原子;迭代;一维基函数;施尔？Dinger波动方程; </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/0704019755834.html">A scheme of numerical solution for three‐dimensional isoelectronic series of hydrogen atom using one‐dimensional basis functions</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Rahman Faiz Ur&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Rahman Faiz Ur,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zhao Rundong&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Zhao 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</b><a class="enjiyixqcontent" href="/patent-detail/06130448342232.html">1 1 1 1 ONE-DIMENSIONAL TIME SERIES DATA COMPRESSION METHOD ONE-DIMENSIONAL TIME SERIES DATA DECOMPRESSION METHOD RECORDING MEDIUM FOR ONE-DIMENSIONAL TIME SERIES DATA COMPRESSION PROGRAM RECORDING MEDIUM FOR ONE-DIMENSIONAL TIME SERIES DATA DECOMPRESSION PROGRAM COMPRESSION DEVICE FOR ONE-DIMENSIONAL TIME SERIES DATA DECOMPRESSION DEVICE FOR ONE-DIMENSIONAL TIME SERIES DATA</a> <b>[P]</b> . <span> 外国专利： <!-- 韩国专利： --> KR100277004B1 </span> <span> . 2001-01-15</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：1 1 1 1一维时间序列数据压缩方法一维时间序列数据解压缩方法记录介质为一维时间序列数据压缩程序记录介质为一维时间序列数据解压缩程序一维时间序列数据的数据解压装置 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130440136915.html">Igf-1 crystal, composition, method of treating mammals suffering from agonist dysfunction, crystallization of igf-1, crystalline igf-1, identification methods of indirect igf-1 agonists, co-crystalline complex , igf-1 three-dimensional structure determination method, machine readable data storage medium, igf-1 crystal, igf-1 three-dimensional structure use method, igf-1 agonist or antagonist identification method, compound design method, peptidomimetic identification method, method for determining at least a three-dimensional structure part of a molecular complex, method for assessing the ability of a chemical entity to associate with igf-1, chemical entity, derivative of heavy atom, method of experimental or computational evaluation of a chemical entity and use of a composition</a> <b>[P]</b> . <span> 外国专利： <!-- --> BR0207422A </span> <span> . 2005-04-19</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：Igf-1晶体，组成，治疗激动剂功能障碍的哺乳动物的方法，igf-1的结晶，igf-1晶体，间接igf-1激动剂的鉴定方法，共晶复合物，igf-1三维结构确定方法，机器可读数据存储介质，igf-1晶体，igf-1三维结构使用方法，igf-1激动剂或拮抗剂鉴定方法，化合物设计方法，拟肽鉴定方法，确定至少三维结构部分的方法分子配合物，评估化学实体与igf-1缔合的能力的方法，化学实体，重原子的衍生物，化学实体的实验或计算评估方法以及组合物的用途 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130461918354.html">Procedure for the production of olefins."This Invention relates to a method for producing Light Olefins that are less than 5 Carbon Atoms.Characterized in that it comprises: (a) contacting Hydrogen and carbon oxide in at least a first reaction ZoneAt conditions effective to react Chemically Hydrogen and carbon oxide and to produce a product that comprises Methanol in the effluent from the first reaction Zone; (b) to COntact substantially all of the effluent from the first reaction Zone, a Second reaction Zone containing a Solid Catalyst, three-dimensional, MicroporousCrystal of small pores to conditions effective to promote the conversion of methanol to olefins and producing the Light Olefins in the effluent from the second reaction Zone; (c) to retrieve aThe effluent Product enriched in Olefins, The reaction Zone; and (d) to submit at least one Hydrogen and at least one carbon oxide, the effluent from the second reaction ZoneThe Step (a).</a> <b>[P]</b> . <span> 外国专利： <!-- --> MX167629B </span> <span> . 1993-03-31</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：生产烯烃的方法。本发明涉及一种生产少于5个碳原子的轻烯烃的方法。其特征在于，它包括：（a）在至少一个第一反应区中在有效的条件下使氢和二氧化碳接触。使氢与碳氢化合物发生化学反应，并在第一反应区的废水中产生包含甲醇的产物;（b）使第一反应区的基本上所有废水，包含固体催化剂的第二反应区，孔的三维微孔晶体到有效地促进甲醇转化为烯烃并在第二反应区的废水中产生轻烯烃的条件;（c）回收富含烯烃的废水产物（反应区）;和（ d）从第二反应区流出至少一种氢气和至少一种碳氧化物的步骤（a）。 </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> 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