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Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory https://arxiv.org/abs/2411.05033 #physicschemph #physicscompph #csLG
Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory https://arxiv.org/abs/2411.05033 #physicschemph #physicscompph #csLG