956 citations · 6.7k across the 107 of their papers we have counts for
107 papers
Geometric energy transfer in two-component systems
Ryan Requist, Chen Li, E. K. U. Gross
Factoring a wave function into marginal and conditional factors partitions the subsystem kinetic energy into two terms. The first depends solely on the marginal wave function, thro…
Ultrafast dynamics with the exact factorization
Federica Agostini, E. K. U. Gross
The exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting a…
Extending solid-state calculations to ultra long-range length scales
Tristan Müller, Sangeeta Sharma, E. K. U. Gross +1
We present a method which enables solid-state density functional theory calculations to be applied to systems of almost unlimited size. Computations of physical effects up to the m…
Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms
A. Davydov, A. Sanna, C. Pellegrini +3
We extend the two leading methods for the \emph{ab initio} computational descrip tion of phonon-mediated superconductors, namely Eliashberg theory and density fu nctional theory fo…
Molecular dissociation in few-cycle laser pulses: From attosecond to femtosecond pulse duration
T. Fiedlschuster, J. Handt, E. K. U. Gross +1
The dissociation dynamics of diatomic molecules interacting with (near) optical laser pulses of different duration is investigated by an elaborate discussion of the electric field…
Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation
Ville J. Härkönen, Robert van Leeuwen, E. K. U. Gross
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interac…