Works citing this work

44 works

Work: Self-Consistent Equations Including Exchange and Correlation Effects

1. A new semiempirical electronic structure and total energy calculation method for solids and large molecules

   Z. M. Khakimov

   ArticleAdvanced Chemical Physics StudiesComputational Materials Science19948 citations

   ABIABI:AkademIndex/openalex/2026.other.602912

2. Accurate calibration of relativistic mean-field models: Correlating observables and providing meaningful theoretical uncertainties

   F. J. Fattoyev, J. Piekarewicz

   ArticleNuclear physics research studiesPhysical Review C20113 citations

   ABIABI:AkademIndex/openalex/2011.article.000023

3. DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications

   Aparna Dixit, Arti Saxena, Mumtaz Manzoor +6

   ArticleAdvanced Thermoelectric Materials and DevicesJournal of Inorganic and Organometallic Polymers and Materials20252 citations

   ABIABI:AkademIndex/openalex/2025.article.000508

4. Layered Na5V12O32 nanowires with enhanced properties of removing Pb2+ in aqueous solution by chemical reaction

   Dong Fang, Xueliu Xu, Rui Bao +5

   ArticleAdvanced Photocatalysis TechniquesJournal of environmental chemical engineering20202 citations

   ABIABI:AkademIndex/openalex/2026.other.251854

5. Electronic structure, structural and optical properties of thermally evaporated CdTe thin films

   S. Lalitha, Smagul Karazhanov, P. Ravindran +3

   ArticleChalcogenide Semiconductor Thin FilmsPhysica B Condensed Matter20061 citations

   ABIABI:AkademIndex/openalex/2006.article.000009

6. Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

   Polina Tereshchuk, Juarez L. F. Da Silva

   ArticleAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20121 citations

   ABIABI:AkademIndex/openalex/2012.article.000003

7. Microstructural evolution of TiC nano powders under fast neutron irradiation: A multi-technique analysis

   E. Popov, L. Slavov, E. Demir +10

   ArticleAdvanced materials and compositesVacuum20231 citations

   ABIABI:AkademIndex/openalex/2023.article.000752

8. Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study

   Fadhil Faez, Farag M. A. Altalbawy, Prakash Kanjariya +6

   ArticleGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20251 citations

   ABIABI:AkademIndex/openalex/2025.article.000433

9. Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate

   А. Jumabaev, I. Doroshenko, А. Absanov +2

   ArticleNonlinear Optical Materials ResearchLow Temperature Physics20251 citations

   ABIABI:AkademIndex/openalex/2025.article.002892

10. A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs

    Farag M.A. Altalbawy, Munthar Kadhim Abosaoda, Suranjana V. Mayani‎ +7

    Article2D Materials and ApplicationsMaterials Chemistry and Physics20251 citations

    ABIABI:AkademIndex/openalex/2025.article.003051

11. Pressure-Induced Enhanced Optical Absorption in Sulvanite Compound Cu₃TaX₄ (X = S, Se, and Te): An <i>ab Initio</i> Study

    Himanshu Joshi, A. Shankar, Nihal Limbu +7

    Review articleChalcogenide Semiconductor Thin FilmsACS Omega20221 citations

    ABIABI:AkademIndex/openalex/2026.other.374615

12. Allowance for kinematic selection rules in the electron-density functional method and ground-state ?quasiparticles?

    S. А. Beznosyuk, V. P. Fadin

    ArticleAdvanced Chemical Physics StudiesRussian Physics Journal19800 citations

    ABIABI:AkademIndex/openalex/1980.article.000038

13. Density functional theory: Approximating quasiparticle density functional

    Serge A. Beznosjuk, Eugene S. Kryachko

    ArticleAdvanced Chemical Physics StudiesInternational Journal of Quantum Chemistry19840 citations

    ABIABI:AkademIndex/openalex/1984.article.000002

14. Energy of interaction of a helium film with a metal surface

    V. I. Gerasimenko

    ArticleQuantum, superfluid, helium dynamicsSoviet Journal of Low Temperature Physics19840 citations

    ABIABI:AkademIndex/openalex/1984.article.000162

15. Optical properties of (Ge2)1−x (InP)x solid solutions

    Sh. K. Ismailov, А. С. Саидов, K. Durshimbetov +1

    ArticlePhase-change materials and chalcogenidesTechnical Physics Letters20060 citations

    ABIABI:AkademIndex/openalex/2006.article.000335

16. The quantum solution of the accumulation layer problem of n-InN

    A. A. Klochikhin, I. Yu. Strashkova

    ArticleGaN-based semiconductor devices and materialsSemiconductors20090 citations

    ABIABI:AkademIndex/openalex/2009.article.000371

17. Dynamics and stability of icosahedral Fe–Pt nanoparticles

    Paweł T. Jochym, Jan Łażewski, M. Sternik +1

    Articlenanoparticles nucleation surface interactionsPhysical Chemistry Chemical Physics20150 citations

    ABIABI:AkademIndex/openalex/2015.article.000181

18. A first-principles study of the avalanche pressure of alpha zirconium

    Qing Peng, Wei Ji, Jie Lian +4

    ArticleHigh-pressure geophysics and materialsRSC Advances20160 citations

    ABIABI:AkademIndex/openalex/2016.article.000366

19. Crown ether complexes of actinyls: a computational assessment of AnO₂(15-crown-5)²⁺(An = U, Np, Pu, Am, Cm)

    Shu‐Xian Hu, Wan‐Lu Li, Liang Dong +2

    ArticleRadioactive element chemistry and processingDalton Transactions20170 citations

    ABIABI:AkademIndex/openalex/2017.article.000065

20. Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles

    Ying Liu, Huifang Du, Leiming Fang +5

    ArticleEnergetic Materials and CombustionRSC Advances20210 citations

    ABIABI:AkademIndex/openalex/2021.article.001432

21. Contacts for SiC nano-microwatt energy converters

    Albina Gurskaya, M. V. Dolgopolov, Sali A. Rajapov +1

    ArticleAdvanced Energy Technologies and Civil Engineering InnovationsVestnik Moskovskogo Universiteta Seriya 3 Fizika Astronomiya20230 citations

    ABIABI:AkademIndex/openalex/2023.article.003766

22. First Principle Investigations of Cesium Based Cubic <scp>CsSiX₃</scp> (X = Cl and F) Perovskites for Solar Conversion Applications: A <scp>DFT</scp> Study

    Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf +5

    ArticlePerovskite Materials and ApplicationsInternational Journal of Quantum Chemistry20240 citations

    ABIABI:AkademIndex/openalex/2024.article.000431

23. Investigation of the structural, electronic, magnetic, mechanical, and optical properties of calcium-based CaJO3 (J = Mn, Ru) perovskites: A first-principle computations

    Shoaib Khan, Mohammad Sohail, Nasir Rahman +8

    ArticlePerovskite Materials and ApplicationsChemical Papers20240 citations

    ABIABI:AkademIndex/openalex/2024.article.000714

24. A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages

    Vincent de Paul Zoua, Fritzgerald Kogge Bine, Ismaèl Figapka Pagoré +2

    ArticleBoron and Carbon Nanomaterials ResearchComputational and Theoretical Chemistry20240 citations

    ABIABI:AkademIndex/openalex/2024.article.000818

25. Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study

    Shaker Al‐Hasnaawei, Farag M. A. Altalbawy, Prakash Kanjariya +6

    Article2D Materials and ApplicationsComputational Materials Science20250 citations

    ABIABI:AkademIndex/openalex/2025.article.000349