Phase géométrique | EPFL Graph Search

In classical and quantum mechanics, geometric phase is a phase difference acquired over the course of a cycle, when a system is subjected to cyclic adiabatic processes, which results from the geometrical properties of the parameter space of the Hamiltonian. The phenomenon was independently discovered by S. Pancharatnam (1956), in classical optics and by H. C. Longuet-Higgins (1958) in molecular physics; it was generalized by Michael Berry in (1984). It is also known as the Pancharatnam–Berry phase, Pancharatnam phase, or Berry phase. It can be seen in the conical intersection of potential energy surfaces and in the Aharonov–Bohm effect. Geometric phase around the conical intersection involving the ground electronic state of the C6H3F3+ molecular ion is discussed on pages 385–386 of the textbook by Bunker and Jensen. In the case of the Aharonov–Bohm effect, the adiabatic parameter is the magnetic field enclosed by two interference paths, and it is cyclic in the sense that these two paths form a loop. In the case of the conical intersection, the adiabatic parameters are the molecular coordinates. Apart from quantum mechanics, it arises in a variety of other wave systems, such as classical optics. As a rule of thumb, it can occur whenever there are at least two parameters characterizing a wave in the vicinity of some sort of singularity or hole in the topology; two parameters are required because either the set of nonsingular states will not be simply connected, or there will be nonzero holonomy. Waves are characterized by amplitude and phase, and may vary as a function of those parameters. The geometric phase occurs when both parameters are changed simultaneously but very slowly (adiabatically), and eventually brought back to the initial configuration. In quantum mechanics, this could involve rotations but also translations of particles, which are apparently undone at the end. One might expect that the waves in the system return to the initial state, as characterized by the amplitudes and phases (and accounting for the passage of time).

Phonon Self-Energy Corrections: To Screen, or Not to Screen

Nicola Marzari, Samuel Poncé

First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouinzone samplings that might not always be sufficient to capture the subtleties of Kohn anomalies. These shortcomings can be addressed through corrections ...

College Pk2023