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Orbitals, overview Wave functions

We overview our valence bond (VB) approach to the ir-electron Pariser-Parr-Pople (PPP) model Hamiltonians referred to sis the PPP-VB method. It is based on the concept of overlap enhanced atomic orbitals (OEAOs) that characterizes modern ab initio VB methods and employs the techniques afforded by the Clifford algebra unitary group approach (CAUGA) to carry out actual computations. We present a sample of previous results, sis well sis some new ones, to illustrate the ability of the PPP-VB method to provide a highly correlated description of the ir-electron PPP model systems, while relying on conceptusilly very simple wave functions that involve only a few covalent structures. [Pg.481]


See other pages where Orbitals, overview Wave functions is mentioned: [Pg.18]    [Pg.5]    [Pg.109]    [Pg.54]    [Pg.154]    [Pg.93]    [Pg.298]    [Pg.154]    [Pg.116]    [Pg.725]    [Pg.315]    [Pg.122]    [Pg.58]   


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