Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn–Sham Density Functional Theory

  • Marco Martínez González, F. George D. Xavier, Jing Li, Luis A. Montero-Cabrera, Jose M. Garcia de la Vega, António J. C. Varandas
  • The Journal of Physical Chemistry A, December 2019, American Chemical Society (ACS)
  • DOI: 10.1021/acs.jpca.9b09504

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http://dx.doi.org/10.1021/acs.jpca.9b09504

The following have contributed to this page: Luis Alberto Montero Cabrera and Professor António Joaquim de Campos Varandas