Introducing a new exchange functional by altering the electron density’s ionization dependency in density functional theory
Abstract Each of the exchange–correlation functionals in the density functional theory has been customized to particular systems or elements and has unique advantages and disadvantages. In one of the most recent research on exchange–correlation functionals, Chachiyo et al. present a relationship for...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-02-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-53341-4 |