Абстрактный

On the perception of the geometric phase effects in the diabatic representation: A new perspective

Ang-YangYu

Conical intersection could influence nuclear motion through geometric phase effects. The nuclear Schrodinger equation acquires a vector potential term in the adiabatic representation when the geometric phase effects are considered. After combining the nuclear Schrodinger equation in the adiabatic representation with the theoretical treatment in the diabatic representation, a new equation is derived for the nuclear motion. The traditional nuclear motion equation has ignored the geometric phase in the diabatic representation whereas the new equation incorporates both the geometric phase effects and other nonadiabatic factors in the diabatic representation.