A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry

摘要

A new phase-fitting singularly P-Stable economical two-step method (which is symbolized as PHAFITECON2STEP) is produced in this paper. The newly introduced method has eliminated phase-lag and its derivatives up to order seven and can be applied to initial or boundary value problems with oscillating and/or periodical solutions. The new method is applied to problems in Quantum Chemistry. We call the newly produced method economical since to achieve the highest possible algebraic order, uses the minimum number of function evaluations per step.