PySCF
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Related Items (8)
Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations ⋮ Approximating Matrix Eigenvalues by Subspace Iteration with Repeated Random Sparsification ⋮ A Fast Iterative Algorithm for Near-Diagonal Eigenvalue Problems ⋮ Solving many-electron Schrödinger equation using deep neural networks ⋮ Comparison of Accuracy and Scalability of Gauss--Newton and Alternating Least Squares for CANDECOMC/PARAFAC Decomposition ⋮ Quantum simulation of the ground-state Stark effect in small molecules: a case study using IBM Q ⋮ Discontinuous Galerkin method with Voronoi partitioning for quantum simulation of chemistry ⋮ Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation
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