General framework for E3-equivariant neural network representation of density functional theory Hamiltonian Xiaoxun Gong1 2He Li1 5Nianlong Zou1Runzhang Xu1Wenhui Duan1 3 4 5 6and Yong Xu1 3 4 7y
GeneralframeworkforE(3)-equivariantneuralnetworkrepresentationofdensityfunctionaltheoryHamiltonianXiaoxunGong,1,2HeLi,1,5NianlongZou,1RunzhangXu,1WenhuiDuan,1,3,4,5,6,andYongXu1,3,4,7,y1StateKeyLaboratoryofLowDimensionalQuantumPhysicsandDepartmentofPhysics,TsinghuaUniversity,Beijing,100084,China2Sc...
2025-05-06
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