Generalised adiabatic connection in ensemble density-functional theory for excited states: example of the H2 molecule

Multi-configuration time-dependent density-functional theory based on range separation

(2013) Emmanuel Fromager et al.   JOURNAL OF CHEMICAL PHYSICS

Self-consistent Formulation of Constricted Variational Density Functional Theory with Orbital Relaxation. Implementation and Applications

(2013) Mykhaylo Krykunov et al.   Journal of Chemical Theory and Computation

Analysis of double-hybrid density functionals along the adiabatic connection

(2013) Yann Cornaton et al.   MOLECULAR PHYSICS

Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle

(2013) Ewa Pastorczak et al.   PHYSICAL REVIEW A

Progress in Time-Dependent Density-Functional Theory

(2012) M.E. Casida et al.   Annual Review of Physical Chemistry

A multiconfigurational hybrid density-functional theory

(2012) Kamal Sharkas et al.   JOURNAL OF CHEMICAL PHYSICS

Response calculations based on an independent particle system with the exact one-particle density matrix: Excitation energies

(2012) K. J. H. Giesbertz et al.   JOURNAL OF CHEMICAL PHYSICS

Time-independent density-functional theory for excited states of Coulomb systems

(2012) Paul W. Ayers et al.   PHYSICAL REVIEW A

Accurate calculation and modeling of the adiabatic connection in density functional theory

(2010) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

Range-dependent adiabatic connections

(2010) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.

(2009) Tom Ziegler et al.   JOURNAL OF CHEMICAL PHYSICS

The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems

(2009) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

Full configuration interaction wave function as a formal solution to the optimized effective potential and Kohn–Sham models in finite basis sets

(2009) Daniel R. Rohr et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Excitation Energies from Spin-Restricted Ensemble-Referenced Kohn−Sham Method: A State-Average Approach†

(2008) Andranik Kazaryan et al.   JOURNAL OF PHYSICAL CHEMISTRY A