Benchmarking excited-state calculations using exciton properties
© 2018 American Chemical Society. Benchmarking is an every-day task in computational chemistry, yet making meaningful comparisons between different methods is nontrivial. Benchmark studies often focus on the most obvious quantities such as energy differences. But to gain insight, it is desirable to...
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| Main Authors: | , , , |
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| Format: | Default Article |
| Published: |
2018
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| Subjects: | |
| Online Access: | https://hdl.handle.net/2134/32229 |
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