We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a partially interacting Hamiltonian, a first-order correction is defined with two variants of perturbation theory: a straightforward perturbation theory, and an extension of the Görling-Levy one that has the advantage of keeping the ground-state density constant at each order in the perturbation. Only the first, simpler, variant is tested here on the helium and beryllium atoms and on the hydrogen molecule. The first-order correction within this perturbation theory improves significantly the total ground- and excited-state energies of the different systems. However, the e...
The development of variational density functional theory approaches to excited electronic states is ...
The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum...
We show that the Helmholtz free-energy variational principle is the physical principle underlying th...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
International audienceWe explore the possibility of calculating electronic excited states by using p...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
A Görling–Levy (GL)-based perturbation theory along the range-separated adiabatic connection is asse...
A Görling–Levy (GL)-based perturbation theory along the range-separated adiabatic connection is asse...
A Görling–Levy (GL)-based perturbation theory along the range-separated adiabatic connection is asse...
International audienceIn this paper, an alternative method to range-separated linear-response time-...
We consider two perturbative schemes to calculate excitation energies, each employing the Kohn-Sham ...
The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum...
International audienceWe present a study of the variation of total energies and excitationenergies a...
The development of variational density functional theory approaches to excited electronic states is ...
The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum...
We show that the Helmholtz free-energy variational principle is the physical principle underlying th...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
International audienceWe explore the possibility of calculating electronic excited states by using p...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
We explore the possibility of calculating electronic excited states by using perturbation theory alo...
A Görling–Levy (GL)-based perturbation theory along the range-separated adiabatic connection is asse...
A Görling–Levy (GL)-based perturbation theory along the range-separated adiabatic connection is asse...
A Görling–Levy (GL)-based perturbation theory along the range-separated adiabatic connection is asse...
International audienceIn this paper, an alternative method to range-separated linear-response time-...
We consider two perturbative schemes to calculate excitation energies, each employing the Kohn-Sham ...
The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum...
International audienceWe present a study of the variation of total energies and excitationenergies a...
The development of variational density functional theory approaches to excited electronic states is ...
The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum...
We show that the Helmholtz free-energy variational principle is the physical principle underlying th...