VALENCE: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method

Summary

VALENCE is an open-source, massively parallel implementation of the variational subspace valence bond (VSVB) method with nonorthogonal orbitals, automatic wave-function construction from an orbital database, and a library build for integration with other codes.

Keywords

valence bond theory VSVB nonorthogonal orbitals parallel electronic structure open-source software HPC

Cite

@article{2019_fletcher_valence_vsvb,
  title = {VALENCE: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method},
  author = {Graham D. Fletcher and Colleen Bertoni and Murat Keçeli and Michael D'Mello},
  journal = {J. Comput. Chem. (2019)},
  year = {2019}
}