A multistep conditionally P-stable method with phase properties of high order for problems in quantum chemistry

摘要

A new two-step method, for the numerical solution of problems in quantum chemistry, is introduced in the present paper. The new algorithm is conditionally P-Stable and an economical scheme. It has vanished phase-lag and it's first to fourth derivatives. We use for the new scheme the symbol LOWPF4DECN2ST. We apply the newly introduced method to problems in Quantum Chemistry. The new scheme is defined as economical since it uses 4 function evaluations per step in order to achieve an algebraic order (AOR) of 10.