Abstract
State-average calculations based on a mixture of states are increasingly being exploited across chemistry and physics as versatile procedures for addressing excitations of quantum many-body systems. If not too many states should need to be addressed, calculations performed on individual states are also a common option. Here we show how the two approaches can be merged into one method, dealing with a generalized yet single pure state. Implications in electronic structure calculations are discussed and for quantum computations are pointed out.
| Item Type: | Journal article |
|---|---|
| Faculties: | Physics |
| Subjects: | 500 Science > 530 Physics |
| ISSN: | 0031-9007 |
| Language: | English |
| Item ID: | 115002 |
| Date Deposited: | 02. Apr 2024, 08:08 |
| Last Modified: | 02. Apr 2024, 08:08 |
| DFG: | Gefördert durch die Deutsche Forschungsgemeinschaft (DFG) - 390814868 |
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