SPIN-ADAPTED VECTOR METHOD - ALTERNATIVE TO THE CONVENTIONAL CONFIGURATION INTERACTION APPROACH

A number of refinements have been incorporated in the vector method. The refinements include utilization of spin-adapted configurations, partitioning the steps in the calculation, and determining the connection of this spin-adapted vector method and standard configuration interaction techniques. To this end, the spin-adapted vector method can be used to generate an integral inverted formula tape commonly used by standard configuration interaction. Sample calculations on LiH are used to compare standard C1 and the spin-adapted vector method. © 1979.