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Morse potential INDEX

It is not necessary to restrict ourselves to bonds that are described by Morse potentials. We can regard eqn. (56) as a quadratic equation in x, use any form of the potential energy V(R) with the usual shape (i.e., a minimum, a repulsive barrier at short distances, and a monotonical increase at large distances), and determine x to get another definition of the bond order. This is called the unity bond index quadratic exponential potential (UBI QEP) method by Shustor-ovich and Sellers. ... [Pg.145]

D PARAMETER OF THE MORSE POTENTIAL AS A NEW BOND INDEX FOR ESTIMATING BOND BREAKING ENERGY IN A... [Pg.143]

The semi-empirical methods referred to as bond-order conserving Morse potential (BOC-MP) or the unity bond index quadratic exponential potential (UBI-QEP) method have been reviewed extensively by Shustorovich and Sellers [145]. The UBI-QEP method is, like some of the empirical methods mentioned above, also based on the use of atom-atom interaction potentials, and here again a Morse form is convenient... [Pg.67]


See other pages where Morse potential INDEX is mentioned: [Pg.302]    [Pg.143]    [Pg.145]    [Pg.147]    [Pg.149]    [Pg.151]    [Pg.153]    [Pg.155]    [Pg.157]    [Pg.160]    [Pg.118]    [Pg.27]    [Pg.35]    [Pg.35]    [Pg.137]    [Pg.7]    [Pg.174]   
See also in sourсe #XX -- [ Pg.571 ]




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