223 citations · 888 across the 34 of their papers we have counts for
34 papers
Adiabatic perturbation theory of energy transfer and charge transport in condensed matter
Ryan Requist, Fran Dabo
Energy and charge transfer in condensed matter systems are often described in terms of quasiparticles. The order of accuracy of the results in terms of the electron-to-nucleus mass…
Adiabatically-induced Kawaguchi geometry and jerk in quantum-classical systems
Athanasios Chatzistavrakidis, Larisa Jonke, Ryan Requist
Adiabatically eliminating the quantum degrees of freedom in a mixed quantum-classical system produces an effective force in the classical equation of motion. The elimination can be…
Application of the exact-factorization density-functional perturbation approach to pentacene crystal and monolayer MoS2
Rachel Steinitz-Eliyahu, Galit Cohen, Guy Vosco +3
Non-adiabatic effects arising from electron-phonon interactions are often neglected within the Born-Oppenheimer (BO) approximation, which assumes that electronic states adjust inst…
Beyond Born-Oppenheimer Time-Dependent Density Functional Theory
Chen Li, Ryan Requist, E. K. U. Gross
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the…
Non-adiabaticity from first principles: the exact-factorization approach for solids
Galit Cohen, Rachel Steinitz-Eliyahu, E. K. U. Gross +2
The thorough treatment of electron-lattice interactions from first principles is one of the main goals in condensed matter physics. While the commonly applied adiabatic Born-Oppenh…
Adiabatic perturbation theory for two-component systems with one heavy component
Ryan Requist
Perturbation theory with respect to the kinetic energy of the heavy component of a two-component quantum system is introduced. An effective Hamiltonian that is accurate to second o…