Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals

2015 ◽  
Vol 17 (19) ◽  
pp. 12521-12529 ◽  
Author(s):  
Alison L. McManus ◽  
Erik P. Hoy ◽  
David A. Mazziotti

The treatment of biradical chemistry presents a challenge for electronic structure theory, especially single-reference methods, as it requires the description of varying degrees and kinds of electron correlation.

1998 ◽  
Vol 58 (19) ◽  
pp. 12704-12711 ◽  
Author(s):  
Adam H. R. Palser ◽  
David E. Manolopoulos

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