A density difference based analysis of orbital-dependent exchange-correlation functionals

Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory

(2013) Akhilesh Tanwar et al.   EUROPEAN PHYSICAL JOURNAL B

Efficient self-consistent treatment of electron correlation within the random phase approximation

(2013) Patrick Bleiziffer et al.   JOURNAL OF CHEMICAL PHYSICS

Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory

(2013) I. Grabowski et al.   PHYSICAL REVIEW B

Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange

(2013) Ilya G. Ryabinkin et al.   PHYSICAL REVIEW LETTERS

Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation

(2012) Maria Hellgren et al.   JOURNAL OF CHEMICAL PHYSICS

Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond

(2012) Prakash Verma et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate singlet and triplet excitation energies using the Localized Hartree–Fock Kohn–Sham potential

(2011) F. Della Sala et al.   CHEMICAL PHYSICS

Frozen density embedding calculations with the orbital-dependent localized Hartree–Fock Kohn–Sham potential

(2011) S. Laricchia et al.   CHEMICAL PHYSICS LETTERS

Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential

(2011) Ireneusz Grabowski et al.   JOURNAL OF CHEMICAL PHYSICS

The role of exact-exchange in the theoretical description of organic-metal interfaces

(2010) Fabio Della Sala et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Correlation energy functional and potential from time-dependent exact-exchange theory

(2010) Maria Hellgren et al.   JOURNAL OF CHEMICAL PHYSICS

Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation

(2010) Michael J. G. Peach et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab initioDFT – the seamless connection between WFT and DFT

(2010) Ireneusz Grabowski et al.   MOLECULAR PHYSICS

Ab initioDFT and its role in electronic structure theory

(2010) Rodney J. Bartlett   MOLECULAR PHYSICS

Coverage of dynamic correlation effects by density functional theory functionals: Density-based analysis for neon

(2009) K. Jankowski et al.   JOURNAL OF CHEMICAL PHYSICS

Towards an accurate description of the electronic properties of the biphenylthiol/gold interface: The role of exact exchange

(2009) E. Fabiano et al.   JOURNAL OF CHEMICAL PHYSICS

Structural and electronic properties of gold microclusters: assessment of the localized Hartree–Fock method

(2009) E. Fabiano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio dynamic correlation effects in density functional theories: a density based study for argon

(2009) Karol Jankowski et al.   THEORETICAL CHEMISTRY ACCOUNTS

On finite basis set implementation of the exchange-only optimized effective potential method

(2009) Vitaly N. Glushkov et al.   THEORETICAL CHEMISTRY ACCOUNTS

Comparison of second-order orbital-dependent DFT correlation functionals

(2008) Ireneusz Grabowski   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation

(2008) Martin Weimer et al.   JOURNAL OF CHEMICAL PHYSICS

Virial exchange energies from model exact-exchange potentials

(2008) Alex P. Gaiduk et al.   JOURNAL OF CHEMICAL PHYSICS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS