3 papers
physics.chem-ph2022
Unusual electronic properties of sub-nanosized magnesium clusters
Stanislav K. Ignatov, Artëm E. Masunov
The electronic parameters and, in particular, the isotropic electrostatic polarizability (IEP) of sub-nanoscale magnesium clusters were studied in an expanded set of 1237 structura…
physics.chem-ph2012
Numerical local "hybrid" functional treatment of selected diatomic molecules: comparison of energies and multipole moments to conventional hybrid functionals
Ivan A. Mikhailov, Olga A. Shukruto, Artem E. Masunov +1
New local "hybrid" functionals proposed by V. V. Karasiev in [J. Chem. Phys. {\bf 118}, 8567 (2003)] are benchmarked against nonlocal hybrid functionals. Their performance is teste…
physics.chem-ph2003
When Density Functional Theory goes wrong and how to fix it: spin balanced unrestricted Kohn-Sham formalism
Artem Masunov
Kohn-Sham (KS) formalism of Density Functional Theory is modified to include the systems with strong non-dynamic electron correlation. Unlike in extended KS and broken symmetry unr…