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Discontinuous Galerkin discretization for quantum simulation of chemistry

All-electron electronic structure methods based on the linear combination of atomic orbitals method with Gaussian basis set discretization offer a well established, compact representation that forms much of the foundation of modern correlated quantum chemistry calculations—on both classical and quan...

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Furkejuvvon:
Váldodahkkit: Jarrod R McClean, Fabian M Faulstich, Qinyi Zhu, Bryan O’Gorman, Yiheng Qiu, Steven R White, Ryan Babbush, Lin Lin
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: IOP Publishing 2020-01-01
Ráidu:New Journal of Physics
Fáttát:
quantum computing
quantum chemistry
density matrix renormalization group
discontinuous Galerkin methods
electronic structure
Liŋkkat:https://doi.org/10.1088/1367-2630/ab9d9f
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