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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Autors principals:	Jarrod R McClean, Fabian M Faulstich, Qinyi Zhu, Bryan O’Gorman, Yiheng Qiu, Steven R White, Ryan Babbush, Lin Lin
Format:	Artigo
Idioma:	Inglês
Publicat:	IOP Publishing 2020-01-01
Col·lecció:	New Journal of Physics
Matèries:	quantum computing quantum chemistry density matrix renormalization group discontinuous Galerkin methods electronic structure
Accés en línia:	https://doi.org/10.1088/1367-2630/ab9d9f
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