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Chem 131A。 Lec 25.量子原理:优化H2 +分子轨道,H2和配置相互作用

Chem 131A. Lec 25. Quantum Principles: Optimizing H2+ Molecular Orbital, H2, & Config Interaction
课程网址: http://ocw.uci.edu/lectures/chem_131a_lec_25_quantum_principles_o...  
主讲教师: 信息不详。欢迎您在右侧留言补充。
开课单位: 加州大学尔湾分校
开课时间: 信息不详。欢迎您在右侧留言补充。
课程语种: 英语
课程简介:
UCI C[url]em 131A Quantum Principles (Winter 2013)Lec 25. Quantum Principles -- Optimizing H2+ Molecular Orbital, H2, & Config Interaction  --View t[url]e complete course: [url]ttp://ocw.uci.edu/courses/c[url]em_131a_quantum_principles.[url]tmlInstructor: A.J. S[url]aka, P[url].DLicense: Creative Commons BY-NC-SATerms of Use: [url]ttp://ocw.uci.edu/info.More courses at [url]ttp://ocw.uci.eduDescription: T[url]is course provides an introduction to quantum mec[url]anics and principles of quantum c[url]emistry wit[url] applications to nuclear motions and t[url]e electronic structure of t[url]e [url]ydrogen atom. It also examines t[url]e Sc[url]rödinger equation and study [url]ow it describes t[url]e be[url]avior of very lig[url]t particles, t[url]e quantum description of rotating and vibrating molecules is compared to t[url]e classical description, and t[url]e quantum description of t[url]e electronic structure of atoms is studied.Recorded on Marc[url] 17, 2014.Index of Topics:0:11 Lecture 251:07 W[url]ere We Were3:28 Polarization5:44 Polarization (II)7:11 Polarization (III)9:16 Polarization (IV)12:33 H215:50 Molecular Orbitals for H216:34 Molecular Orbitals for H2 (II)18:24 T[url]e Potential Energy Curve20:19 T[url]e LCAO-MO Problem22:54 T[url]e LCAO-MO Problem (II)24:53 T[url]e LCAO-MO Problem (III)27:01 T[url]e Asymptotic Value28:14 T[url]e Asymptotic Energy29:02 T[url]e Asymptotic Energy (II)30:29 Problem Explained31:50 T[url]e Valence Bond Approac[url]33:51 Optimizing Our Wavefunction35:16 Problem Solved37:35 Problem Solved (II)39:21 Problem Solved (III)40:28 Wrapping Up H241:50 A Qualitative Picture45:53 Bond Order47:28 Comparing H2+ T[url]roug[url] He2Required attribution: S[url]aka, A.J. Quantum Principles 131A (UCI OpenCourseWare: University of California, Irvine),  [url]ttp://ocw.uci.edu/courses/c[url]em_131a_quantum_principles.[url]tml. [Access date]. License: Creative Commons Attribution-S[url]areAlike 3.0 United States License.
关 键 词: 力学; 量子化学; 电子结构
课程来源: 信息不详。欢迎您在右侧留言补充。
最后编审: 2018-09-29:wrq
阅读次数: 25