JAYNES INFORMATION ENTROPY OF SMALL MOLECULES - NUMERICAL EVIDENCE OFTHE COLLINS CONJECTURE

Collins's conjecture [Z. Naturforsch. 48A, 68 (1993)] that the correla tion energy of a system is proportional to the Jaynes entropy [in Pape rs on Probability, Statistics and Statistical Physics, edited by R. Ro sencrantz (Reidel, Dordrecht, 1983)] is investigated for small molecul ar systems. Numerical evidence supporting the conjecture is obtained b y computing entropies from highly correlated configuration-interaction wave functions at various correlation levels, using sequences of incr easingly larger basis sets. Further evidence is also obtained by exami nation of results obtained from a variety of correlation methods utili zing a fixed basis set. [S1050-2947(97)04711-2].