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Universal nature of different methods of obtaining the exact Kohn–Sham exchange-correlation potential for a given density
| Content Provider | Semantic Scholar |
|---|---|
| Author | Kumar, Ashish Singh, Rabeet Harbola, Manoj K. |
| Copyright Year | 2018 |
| Abstract | An interesting fundamental problem in density-functional theory of electronic structure of matter is to construct the exact Kohn-Sham (KS) potential for a given density. The exact potential can then be used to assess the accuracy of approximate functionals and the corresponding potentials. Besides its practical usefulness, such a construction by itself is a challenging inverse problem. Over the past three decades, many seemingly disjoint methods have been proposed to solve this problem. We show that these emanate from a single algorithm based on the Euler equation for the density. This provides a mathematical foundation for all different density-based methods that are used to construct the KS system from a given density and reveals their universal character. |
| Starting Page | 075007 |
| Ending Page | 075007 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| DOI | 10.1088/1361-6455/ab04e8 |
| Alternate Webpage(s) | http://export.arxiv.org/pdf/1804.06098 |
| Alternate Webpage(s) | https://arxiv.org/pdf/1804.06098v1.pdf |
| Alternate Webpage(s) | https://doi.org/10.1088/1361-6455%2Fab04e8 |
| Volume Number | 52 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
