Data for Program synthesis of sparse algorithms for wave function and energy prediction in grid-based quantum simulations

The resulting PS-generated algorithms are initially developed and tested for 1-D vibrational eigenproblems, before solution of multi-dimensional problems is demonstrated; we find that our new PS-generated algorithms can reduce calculation times for grid-based eigenvector computation by an order-of-magnitude or more. More generally, with further development and optimization, we anticipate that PS-generated algorithms based on effective Hamiltonian approximations, such as those proposed here, could be useful in direct simulations of quantum dynamics via wavefunction propagation, and evaluation of molecular electronic structure.<br><br>This directory contains datasets from Figs. 2-6 in Program Synthesis of Sparse Algorithms for Wave Function and Energy Prediction in Grid Based Quantum Simulations.

Each directory contains standard ascii text files.