Ground and Excited States from Ensemble Variational Principles
The extension of the Rayleigh-Ritz variational principle to ensemble states $\rho_{\mathbf{w}}\equiv\sum_k w_k |\Psi_k\rangle \langle\Psi_k|$ with fixed weights $w_k$ lies ultimately at the heart of several recent methodological developments for targeting excitation energies by variational means. Pr...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Verein zur Förderung des Open Access Publizierens in den Quantenwissenschaften
2024-11-01
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| Series: | Quantum |
| Online Access: | https://quantum-journal.org/papers/q-2024-11-14-1525/pdf/ |
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