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quant-ph2021★ 6 cited
Analytical Ground- and Excited-State Gradients for Molecular Electronic Structure Theory from Hybrid Quantum/Classical Methods
Robert M. Parrish, Gian-Luca R. Anselmetti, Christian Gogolin
We develop analytical gradients of ground- and excited-state energies with respect to system parameters including the nuclear coordinates for the hybrid quantum/classical multistat…
quant-ph2021★ 7 cited
Local, Expressive, Quantum-Number-Preserving VQE Ansatze for Fermionic Systems
Gian-Luca R. Anselmetti, David Wierichs, Christian Gogolin +1
We propose VQE circuit fabrics with advantageous properties for the simulation of strongly correlated ground and excited states of molecules and materials under the Jordan-Wigner m…