Automated symbolic algebra for quantum chemistry

Complex symbolic algebra, such as the manipulation of second-quantized operators, Slater determinants, Feynman diagrams, is an inevitable element in quantum chemistry. An increasing number of these operations are now performed by the computerized systems that can handle higher mathematical constructs than just numbers and simple arithmetic. We have been leading the development of the algorithms that automate the algebraic transformation and computer implementation of many-body quantum-mechanical methods for electron correlation. They enable a whole new class of highly complex but vastly accurate methods, the manual development of which is no longer practical.