Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and Transition Energies.
- Resource Type
- Article
- Source
- Journal of Chemical Theory & Computation; 4/13/2021, Vol. 17 Issue 4, p2266-2282, 17p
- Subject
- Language
- ISSN
- 15499618