Calculation of magnetic coupling constants with hybrid density functionals
The currently available computational methods for the calculation of magnetic coupling constants with density functional theory have been reviewed. These methods include modern approximations to the exchangecorrelation functional, such as hybrid, range-separated and double-hybrid functionals, as wel...
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| Other Authors: | , , , , , |
| Format: | Master's thesis |
| Language: | eng |
| Published: |
2013
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| Subjects: | |
| Online Access: | https://jyx.jyu.fi/handle/123456789/45989 |