| 书目名称 | Spin Eigenfunctions | | 副标题 | Construction and Use | | 编辑 | Ruben Pauncz | | 视频video | http://file.papertrans.cn/875/874349/874349.mp4 | | 图书封面 |  | | 描述 | The aim of this book is to give a comprehensive treatment of the different methods for the construction of spin eigenfunctions and to show their interrelations. The ultimate goal is the construction of an antisymmetric many-electron wave function that has both spatial and spin parts and the calculation of the matrix elements of the Hamiltonian over the total wave function. The representations of the symmetric group playa central role both in the construction of spin functions and in the calculation of the matrix elements of the Hamiltonian, so this subject will be treated in detail. We shall restrict the treatment to spin-independent Hamiltonians; in this case the spin does not have a direct role in the energy expression, but the choice of spin functions influences the form of spatial functions through the antisymmetry principle; the spatial functions determine the energy of the system. We shall also present the "spin-free quantum chemistry" approach of Matsen and co-workers, in which one starts immediately with the construction of spatial functions that have the correct permutational symmetries. By presenting both the conventional and the spin-free approach, one gains a better und | | 出版日期 | Book 1979 | | 关键词 | Configuration Interaction; chemistry; energy; influence; mutation; quantum chemistry; spin; structure; symme | | 版次 | 1 | | doi | https://doi.org/10.1007/978-1-4684-8526-4 | | isbn_softcover | 978-1-4684-8528-8 | | isbn_ebook | 978-1-4684-8526-4 | | copyright | Plenum Press, New York 1979 |
The information of publication is updating
|
|
|Archiver|手机版|小黑屋|
派博传思国际
( 京公网安备110108008328)
GMT+8, 2025-8-18 22:33
发表于 2025-3-21 17:28:32
