Program Synthesis of Sparse Algorithms for Wave Function and Energy Prediction in Grid-Based Quantum Simulations - Habershon, Scott (Journal of chemical theory and computation, 2022)
Keywords: Algorithms; Approximation; Digital video recorders; Eigenvalues; Eigenvectors; Electronic structure; Mathematical analysis; Molecular structure; Numerical methods; Optimization; Potential energy; Representations; Schrodinger equation; Spectroscopy and Excited States; Synthesis; Wave functions; Wave propagation