Aliaksandr V. Krukau

Indiana University Bloomington — United States

Physics and Astronomy · Physical Sciences

5h-index7.9kcitations9works0.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(5), Advanced Chemical Physics Studies(3), Molecular Junctions and Nanostructures(3), Advanced NMR Techniques and Applications(2), Physics of Superconductivity and Magnetism(1)

Publications9 total

Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approach
Molecular Physics·2017· 4 cited
Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approach
Figshare·2017Open Access
Erratum: “QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients” [J. Chem. Phys. 135, 014105 (2011)]
The Journal of Chemical Physics·2012· 1 citedOpen Access
QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients
The Journal of Chemical Physics·2011· 28 cited
New approaches for incorporating the exact exchange energy density into density functional approximations
Rice Digital Scholarship Archive (Rice University)·2009Open Access
Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization
The Journal of Chemical Physics·2008· 71 citedOpen Access
Hybrid functionals with local range separation
The Journal of Chemical Physics·2008· 154 cited
Influence of the exchange screening parameter on the performance of screened hybrid functionals
The Journal of Chemical Physics·2006· 6.6k cited
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
The Journal of Chemical Physics·2006· 980 cited

Frequent Co-authors

Gustavo E. Scuseria(4), Krishnan Raghavachari(4), Oleg A. Vydrov(2), Hrant P. Hratchian(2), Priya V. Parandekar(2), Michael J. Frisch(2), Daniel Beckett(2), Artur F. Izmaylov(1), Jochen Heyd(1), John P. Perdew(1), Andreas Savin(1), Benjamin G. Janesko(1)