Correlated Electron-Ion Dynamics (CEID) is an extension of molecular dynamics that allows us to introduce in a correct manner the exchange of energy between electrons and ions. The formalism is based on a systematic approximation (Small Amplitude Moment Ex-pansion- SAME). This formalism is introduced, including modications to account for open boundaries, its structure analysed, and some results given (the heating of an ion by current carrying electrons, and inelastic I-V spectroscopy). The computer code that implements the closed system version of the formalism (Dinamo) is described. We close with some thoughts about the future prospects of this approach. 69
doi:10.1088/1367-2630/11/1/013004 Abstract. Classical molecular dynamics (MD) is a frequently used t...
In this thesis we use a time-dependent tight-binding model metal evolving under semiclassical Ehrenf...
This volume provides a comprehensive introduction to the theory of electronic motion in molecular pr...
Here we survey the theory and applications of a family of methods (correlated electron-ion dynamics...
AbstractIn this paper we briefly discuss the problem of simulating non-adiabatic processes in system...
doi:10.1088/0953-8984/16/46/012 A method for introducing correlations between electrons and ions tha...
Abstract. A method for introducing correlations between electrons and ions that is computationally a...
The electronic system is driven far from its ground state in many applications today: attosecond co...
International audienceA single positive ion is imbedded in an electron gas with overall charge neutr...
Submitted to Phys. Rev. EInternational audienceThe dynamics of electrons in the presence of a positi...
International audienceThe non-linear behavior of electrons around a positive impurity ion is studied...
International audienceThe dynamic properties of ion-electron two-component plasmas (TCP) are studied...
19th International Conference on Atomic Processes in Plasmas (APiP), Campus Les Cordeliers, Paris, F...
Journals published by the American Physical Society can be found at http://journals.aps.org
K-entropy is calculated for strongly coupled plasmas by a molecular dynamics method for both electro...
doi:10.1088/1367-2630/11/1/013004 Abstract. Classical molecular dynamics (MD) is a frequently used t...
In this thesis we use a time-dependent tight-binding model metal evolving under semiclassical Ehrenf...
This volume provides a comprehensive introduction to the theory of electronic motion in molecular pr...
Here we survey the theory and applications of a family of methods (correlated electron-ion dynamics...
AbstractIn this paper we briefly discuss the problem of simulating non-adiabatic processes in system...
doi:10.1088/0953-8984/16/46/012 A method for introducing correlations between electrons and ions tha...
Abstract. A method for introducing correlations between electrons and ions that is computationally a...
The electronic system is driven far from its ground state in many applications today: attosecond co...
International audienceA single positive ion is imbedded in an electron gas with overall charge neutr...
Submitted to Phys. Rev. EInternational audienceThe dynamics of electrons in the presence of a positi...
International audienceThe non-linear behavior of electrons around a positive impurity ion is studied...
International audienceThe dynamic properties of ion-electron two-component plasmas (TCP) are studied...
19th International Conference on Atomic Processes in Plasmas (APiP), Campus Les Cordeliers, Paris, F...
Journals published by the American Physical Society can be found at http://journals.aps.org
K-entropy is calculated for strongly coupled plasmas by a molecular dynamics method for both electro...
doi:10.1088/1367-2630/11/1/013004 Abstract. Classical molecular dynamics (MD) is a frequently used t...
In this thesis we use a time-dependent tight-binding model metal evolving under semiclassical Ehrenf...
This volume provides a comprehensive introduction to the theory of electronic motion in molecular pr...