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Lec 20.量子原理:Hartree-Fock计算,旋转和Slater

Chem 131A. Lec 20. Quantum Principles: Hartree-Fock Calculations, Spin, and Slater
课程网址: http://ocw.uci.edu/lectures/chem_131a_lec_20_quantum_principles_h...  
主讲教师: A.J. Shaka
开课单位: 加州大学尔湾分校
开课时间: 2014-02-27
课程语种: 英语
中文简介:
本课程提供量子力学和量子化学原理的介绍,并应用于核子运动和氢原子的电子结构。它还检验了薛定谔方程,并研究了它如何描述非常轻的粒子的行为,将旋转和振动分子的量子描述与经典描述进行了比较,研究了原子电子结构的量子描述。
课程简介: This course provides an introduction to quantum mechanics and principles of quantum chemistry with applications to nuclear motions and the electronic structure of the hydrogen atom. It also examines the Schrödinger equation and study how it describes the behavior of very light particles, the quantum description of rotating and vibrating molecules is compared to the classical description, and the quantum description of the electronic structure of atoms is studied.
关 键 词: 量子原理; 褔克近似算法; 斯莱特行列式
课程来源: 加州大学欧文分校
最后编审: 2018-09-26:wrq
阅读次数: 38