Weights in BOVB Wavefunctions

Given that we intend to employ a wide range of different expansions in our BOVB calculations it is important to know which types of configurations dominate the wavefunction and which simply serve to condition Eq. (10). The usual way to analyze a wavefunction is to calculate the weight of each configuration within the total wavefunction. The most widely used definition of weight is that of Chirgwin and Coulson [26] 

In the BOVB approach, we must deal with both left and right eigenvectors. Hence we use a symmetric form for the weights 

All weights reported in this chapter were evaluated using Eq. (28). 

In this section we outline some simple calculations which illustrate the nature of the results we can expect from the BOVB method we have described. Our purpose here is not to report new applications, those will be given in the next section, but rather to illustrate the utility of what we have proposed and enable a comparison to be made with other valence bond schemes. 

C2nH2n+2 systems there are 2n tt-electrons and we include all of these in our calculations. The wavefunction used may be denoted BOVB(2 ,7+5) in the notation of Eq. (14). As may be anticipated the outcome of the BOVB 

---