DEFINITION, MATHEMATICAL EXAMPLES AND QUANTUM-CHEMICAL APPLICATIONS OF NESTED SUMMATION SYMBOLS AND LOGICAL KRONECKER DELTAS

Two mathematical symbols are introduced and their applications to comp utational chemistry and to artificial intelligence are described. The first symbol is called a nested summation symbol (NSS). After a discus sion of its properties, we insist on the significance of this symbol i n developing sequential and parallel computational algorithms. Another group of symbols, related to logical expressions, are defined under t he name logical Kronecker deltas (LKDs). Application examples of the N SS and LKD technique to several computational quantum chemistry topics are given. It is shown how some standard formulae become shorter and easier to write, generalize, program and evaluate. It is emphasized th at both symbols constitute a powerful link between mathematical formal ism and programming in high level languages.