Modelling Non-Adiabatic Processes In Materials with Correlated Electron-Ion Dynamics: The Next Frontier in Quantum Modelling of Materials
Lead Research Organisation:
University College London
Department Name: Physics and Astronomy
Abstract
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Organisations
Publications
Horsfield A
(2008)
Correlated electron-ion dynamics in metallic systems
in Computational Materials Science
McEniry E
(2010)
Modelling non-adiabatic processes using correlated electron-ion dynamics
in The European Physical Journal B
Miranda RP
(2011)
A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. II. Coulomb interaction effects in single conjugated polymer chains.
in The Journal of chemical physics
Miranda RP
(2011)
A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states.
in The Journal of chemical physics
Stella L
(2007)
Robust nonadiabatic molecular dynamics for metals and insulators.
in The Journal of chemical physics
Stella L
(2011)
Analog of Rabi oscillations in resonant electron-ion systems.
in The Journal of chemical physics