N‑Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly(p‑Phenylenevinylene)

Guo, Sheng ; Watson, Mark A ; Hu, Weifeng ; Sun, Qiming ; Chan, Garnet Kin-Lic

Journal of chemical theory and computation, 2016-04, Vol.12 (4), p.1583-1591 [Periódico revisado por pares]

United States: American Chemical Society

Texto completo disponível