Solution to quantum chemistry problems using a phase-fitting, singularly P-stable, cost-effective two-step approach with disappearing phase-lag derivatives up to order 5
Bin Sun, Chia‐Liang Lin, Theodore E. Simos
Topics & Concepts
Mathematical chemistryPhase lagMathematicsOrder (exchange)Algebraic numberFunction (biology)QuantumLagApplied mathematicsPhase (matter)Symbol (formal)Mathematical analysisComputer scienceQuantum mechanicsPhysicsCombinatoricsEvolutionary biologyFinanceProgramming languageComputer networkBiologyEconomicsNumerical methods for differential equationsMatrix Theory and AlgorithmsQuantum chaos and dynamical systems