Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions

Electronic friction near metal surfaces: A case where molecule-metal couplings depend on nuclear coordinates

(2017) Wenjie Dou et al.   JOURNAL OF CHEMICAL PHYSICS

A Generalized Surface Hopping Algorithm To Model Nonadiabatic Dynamics near Metal Surfaces: The Case of Multiple Electronic Orbitals

(2017) Wenjie Dou et al.   Journal of Chemical Theory and Computation

Mixed Quantum-Classical Dynamics Using Collective Electronic Variables: A Better Alternative to Electronic Friction Theories

(2017) Ilya G. Ryabinkin et al.   Journal of Physical Chemistry Letters

A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states

(2016) Wenjie Dou et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics of Barrier Crossings for the Generalized Anderson–Holstein Model: Beyond Electronic Friction and Conventional Surface Hopping

(2016) Wenjun Ouyang et al.   Journal of Chemical Theory and Computation

Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces

(2016) Mikhail Askerka et al.   PHYSICAL REVIEW LETTERS

Frictional effects near a metal surface

(2015) Wenjie Dou et al.   JOURNAL OF CHEMICAL PHYSICS

Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model

(2015) Wenjie Dou et al.   JOURNAL OF CHEMICAL PHYSICS

Nature of heat in strongly coupled open quantum systems

(2015) Massimiliano Esposito et al.   PHYSICAL REVIEW B

Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption

(2015) O. Bunermann et al.   SCIENCE

Out-of-equilibrium catalysis of chemical reactions by electronic tunnel currents

(2013) Alan A. Dzhioev et al.   JOURNAL OF CHEMICAL PHYSICS

Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions

(2013) Kristen Kaasbjerg et al.   PHYSICAL REVIEW B

Current-induced atomic dynamics, instabilities, and Raman signals: Quasiclassical Langevin equation approach

(2012) Jing-Tao Lü et al.   PHYSICAL REVIEW B

Current-induced forces in mesoscopic systems: A scattering-matrix approach

(2012) Niels Bode et al.   Beilstein Journal of Nanotechnology

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

(2011) Jack Deslippe et al.   COMPUTER PHYSICS COMMUNICATIONS

Mechanically controlled molecular orbital alignment in single molecule junctions

(2011) Christopher Bruot et al.   Nature Nanotechnology

Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001)

(2011) Gernot Füchsel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational instabilities in resonant electron transport through single-molecule junctions

(2011) R. Härtle et al.   PHYSICAL REVIEW B

Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping

(2009) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface

(2009) N. Shenvi et al.   SCIENCE

Numerical renormalization group method for quantum impurity systems

(2008) Ralf Bulla et al.   REVIEWS OF MODERN PHYSICS

Nuclear Coupling and Polarization in Molecular Transport Junctions: Beyond Tunneling to Function

(2008) M. Galperin et al.   SCIENCE