Add to ORKGIn this thesis we developed the time-dependent version of the multicomponent density functional approach to treat time-dependent electron-nuclear systems. The method enables to describe the electron-nuclear coupling fully quantum mechanically. No Born-Oppenheimer approximation is involved in the approach. The multicomponent density functional theory is formulated for an electron-nuclear system in the body-fixed coordinate frame attached to the nuclei. It allows us to describe properly the internal properties of the system
Abstract. Time-dependent density functional theory (TDDFT) is a general and robust method allowing t...
In the context of the exact factorization of the electron-nuclear wave function, the coupling betwee...
To calculate non-adiabatic electron transition phenomena, for which electronic and atomic motions ar...
In this thesis we developed the time-dependent version of the multicomponent density functional appr...
In this thesis we developed the time-dependent version of the multicomponent density functional appr...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
The quantum mechanical treatment of both electrons and protons in the calculation of excited state p...
Electron-positron interactions have been utilized in various fields of science. Here we develop time...
International audienceThe nuclear time-dependent density functional theory (TDDFT) is a tool of choi...
The solution of the time-dependent Schrodinger equation for systems of interacting electrons is gene...
The electronic system is driven far from its ground state in many applications today: attosecond co...
Abstract. Time-dependent density functional theory (TDDFT) is a general and robust method allowing t...
In the context of the exact factorization of the electron-nuclear wave function, the coupling betwee...
To calculate non-adiabatic electron transition phenomena, for which electronic and atomic motions ar...
In this thesis we developed the time-dependent version of the multicomponent density functional appr...
In this thesis we developed the time-dependent version of the multicomponent density functional appr...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
We derive the basic formalism of density functional theory for time-dependent electron-nuclear syste...
The quantum mechanical treatment of both electrons and protons in the calculation of excited state p...
Electron-positron interactions have been utilized in various fields of science. Here we develop time...
International audienceThe nuclear time-dependent density functional theory (TDDFT) is a tool of choi...
The solution of the time-dependent Schrodinger equation for systems of interacting electrons is gene...
The electronic system is driven far from its ground state in many applications today: attosecond co...
Abstract. Time-dependent density functional theory (TDDFT) is a general and robust method allowing t...
In the context of the exact factorization of the electron-nuclear wave function, the coupling betwee...
To calculate non-adiabatic electron transition phenomena, for which electronic and atomic motions ar...