Saved in:
| Main Authors: | , |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Philadelphia
Society for Industrial and Applied Mathematics, SIAM
[2019]
|
| Series: | SIAM spotlights
4 |
| Subjects: | |
| Links: | https://doi.org/10.1137/1.9781611975802 https://doi.org/10.1137/1.9781611975802 https://doi.org/10.1137/1.9781611975802 https://doi.org/10.1137/1.9781611975802 https://doi.org/10.1137/1.9781611975802 |
| Abstract: | Based on first principle quantum mechanics, electronic structure theory is widely used in physics, chemistry, materials science, and related fields and has recently received increasing research attention in applied and computational mathematics. This book provides a self-contained, mathematically oriented introduction to the subject and its associated algorithms and analysis. It will help applied mathematics students and researchers with minimal background in physics understand the basics of electronic structure theory and prepare them to conduct research in this area. A Mathematical Introduction to Electronic Structure Theory begins with an elementary introduction of quantum mechanics, including the uncertainty principle and the Hartree-Fock theory, which is considered the starting point of modern electronic structure theory. The authors then provide an in-depth discussion of two carefully selected topics that are directly related to several aspects of modern electronic structure calculations: density matrix based algorithms and linear response theory. Chapter 2 introduces the Kohn-Sham density functional theory with a focus on the density matrix based numerical algorithms, and Chapter 3 introduces linear response theory, which provides a unified viewpoint of several important phenomena in physics and numerics. An understanding of these topics will prepare readers for more advanced topics in this field. The book concludes with the random phase approximation to the correlation energy |
| Physical Description: | 1 Online-Ressource (x, 127 Seiten) |
| ISBN: | 9781611975802 |
| DOI: | 10.1137/1.9781611975802 |
Staff View
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| id | DE-604.BV045940963 |
| illustrated | Not Illustrated |
| indexdate | 2024-12-20T18:39:11Z |
| institution | BVB |
| isbn | 9781611975802 |
| language | English |
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| physical | 1 Online-Ressource (x, 127 Seiten) |
| psigel | ZDB-72-SIA ZDB-72-SIA TUM_Paketkauf_2019 |
| publishDate | 2019 |
| publishDateSearch | 2019 |
| publishDateSort | 2019 |
| publisher | Society for Industrial and Applied Mathematics, SIAM |
| record_format | marc |
| series | SIAM spotlights |
| series2 | SIAM spotlights |
| spellingShingle | Lin, Lin Lu, Jianfeng 1983- A mathematical introduction to electronic structure theory iterative solution of symmetric quasi-definite linear systems SIAM spotlights Numerische Mathematik (DE-588)4042805-9 gnd |
| subject_GND | (DE-588)4042805-9 |
| title | A mathematical introduction to electronic structure theory iterative solution of symmetric quasi-definite linear systems |
| title_auth | A mathematical introduction to electronic structure theory iterative solution of symmetric quasi-definite linear systems |
| title_exact_search | A mathematical introduction to electronic structure theory iterative solution of symmetric quasi-definite linear systems |
| title_full | A mathematical introduction to electronic structure theory iterative solution of symmetric quasi-definite linear systems Lin Lin (University of California, Berkeley, California), Jianfeng Lu (Duke University, Durham, North Carolina) |
| title_fullStr | A mathematical introduction to electronic structure theory iterative solution of symmetric quasi-definite linear systems Lin Lin (University of California, Berkeley, California), Jianfeng Lu (Duke University, Durham, North Carolina) |
| title_full_unstemmed | A mathematical introduction to electronic structure theory iterative solution of symmetric quasi-definite linear systems Lin Lin (University of California, Berkeley, California), Jianfeng Lu (Duke University, Durham, North Carolina) |
| title_short | A mathematical introduction to electronic structure theory |
| title_sort | a mathematical introduction to electronic structure theory iterative solution of symmetric quasi definite linear systems |
| title_sub | iterative solution of symmetric quasi-definite linear systems |
| topic | Numerische Mathematik (DE-588)4042805-9 gnd |
| topic_facet | Numerische Mathematik |
| url | https://doi.org/10.1137/1.9781611975802 |
| volume_link | (DE-604)BV047082859 |
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