LegLag is an electronic structure theory program for exploring the unusual properties of one dimensional chemistry. It was originally described in the paper Molecular electronic structure in one-dimensional Coulomb systems, and more background can be found in the following publications:
- P. F. Loos, C. J. Ball and P. M. W. Gill, Phys. Chem. Chem. Phys. 17, 3196 (2015)
- C. J. Ball and P. M. W. Gill, Mol. Phys. 113, 1843 (2015)
- C. J. Ball, P. F. Loos and P. M. W. Gill, Phys. Chem. Chem. Phys. 19, 3987 (2017)