Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–Fock

Molecular excitation spectra by TDDFT with the nonadiabatic exact exchange kernel

(2010) Andrey Ipatov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment

(2010) Marco Caricato et al.   Journal of Chemical Theory and Computation

Random phase approximation correlation energies with exact Kohn–Sham exchange

(2010) Andreas Heßelmann et al.   MOLECULAR PHYSICS

Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods

(2010) Andreas Görling et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Qualitatively Correct Charge-Transfer Excitation Energies in HeH+by Time-Dependent Density-Functional Theory Due to Exact Exchange Kohn−Sham Eigenvalue Differences

(2009) Tino Gimon et al.   Journal of Chemical Theory and Computation

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals

(2009) Nicholas A. Besley et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparison between optimized effective potential and Kohn–Sham methods

(2008) Andreas Heßelmann et al.   CHEMICAL PHYSICS LETTERS

Modeling the doubly excited state with time-dependent Hartree–Fock and density functional theories

(2008) Christine M. Isborn et al.   JOURNAL OF CHEMICAL PHYSICS

Relation between exchange-only optimized potential and Kohn–Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions

(2008) Andreas Görling et al.   JOURNAL OF CHEMICAL PHYSICS

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Real-time resolution of the causality paradox of time-dependent density-functional theory

(2008) Giovanni Vignale   PHYSICAL REVIEW A