Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems
The restricted excitation subspace approximation is explored as a basis to reduce the memory storage required in linear response time-dependent density functional theory (TDDFT) calculations within the Tamm-Dancoff approximation. It is shown that excluding the core orbitals and up to 70% of the virt...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis
2018
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| Subjects: | |
| Online Access: | https://eprints.nottingham.ac.uk/49206/ |