most citedBlock2: a comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond

116 citations · 116 across the 1 of their papers we have counts for

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physics.chem-ph2024

Selected non-orthogonal configuration interaction with compressed single and double excitations

Chong Sun, Fei Gao, Gustavo E. Scuseria

Addressing both dynamic and static correlation accurately is a primary goal in electronic structure theory. Non-orthogonal configuration interaction (NOCI) is a versatile tool for…

physics.chem-ph2023★ 116 cited

Block2: a comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond

Huanchen Zhai, Henrik R. Larsson, Seunghoon Lee +10

Block2 is an open source framework to implement and perform density matrix renormalization group and matrix product state algorithms. Out-of-the-box it supports the eigenstate, tim…