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physics.chem-ph2022★ 5 cited
Time-reversal symmetry adaptation in relativistic density matrix renormalization group algorithm
Zhendong Li
In the nonrelativistic Schrödinger equation, the total spin and spin projection are good quantum numbers. In contrast, spin symmetry is lost in the presence of spin-depende…
quant-ph2022★ 51 cited
Variational Quantum Computation of Molecular Linear Response Properties on a Superconducting Quantum Processor
Kaixuan Huang, Xiaoxia Cai, Hao Li +12
Simulating response properties of molecules is crucial for interpreting experimental spectroscopies and accelerating materials design. However, it remains a long-standing computati…