Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation.

Romain Garnier Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation. 263-277 2019 234 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2018.07.008 db/journals/cphysics/cphysics234.html#Garnier19