Time-dependent density functional (response) theory (TDDF(R)T) is applied almost exclusively in its adiabatic approximation (ATDDFT), which is restricted to predominantly single electronic excitations and neglects additional roots of the TDDFT eigenvalue problem stemming from the interaction between single and double excitations. We incorporate the effect of the latter interaction into a non-adiabatic frequency-dependent and spatially non-local Hartree-exchange- correlation (Hxc) kernel fCEDAHxc (
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating exci...
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional th...
We propose a nonadiabatic time-dependent spin-density functional theory (TDSDFT) approach for studyi...
Within the adiabatic approximation, time-dependent density functional theory yields only single exci...
Time-dependent density-functional theory (TDDFT) is widely used in the study of linear response prop...
In time-dependent density-functional theory, an important quantity is the exchange-correlation kern...
Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to c...
Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to c...
In this work we have calculated excitation energies and photoionization cross sections of Be and Ne ...
Abstract. Time-dependent density functional theory (TDDFT) is a general and robust method allowing t...
Time-dependent density functional theory in its current adiabatic implementations exhibits three str...
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating exci...
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating exci...
Adiabatic response time-dependent density functional theory (TDDFT) suffers from the restriction to ...
We propose a nonadiabatic time-dependent spin-density functional theory (TDSDFT) approach for studyi...
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating exci...
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional th...
We propose a nonadiabatic time-dependent spin-density functional theory (TDSDFT) approach for studyi...
Within the adiabatic approximation, time-dependent density functional theory yields only single exci...
Time-dependent density-functional theory (TDDFT) is widely used in the study of linear response prop...
In time-dependent density-functional theory, an important quantity is the exchange-correlation kern...
Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to c...
Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to c...
In this work we have calculated excitation energies and photoionization cross sections of Be and Ne ...
Abstract. Time-dependent density functional theory (TDDFT) is a general and robust method allowing t...
Time-dependent density functional theory in its current adiabatic implementations exhibits three str...
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating exci...
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating exci...
Adiabatic response time-dependent density functional theory (TDDFT) suffers from the restriction to ...
We propose a nonadiabatic time-dependent spin-density functional theory (TDSDFT) approach for studyi...
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating exci...
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional th...
We propose a nonadiabatic time-dependent spin-density functional theory (TDSDFT) approach for studyi...