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Journal Abstract Search

450 related items for PubMed ID: 16331944

  • 1. Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules.
    Ruzsinszky A, Perdew JP, Csonka GI.
    J Phys Chem A; 2005 Dec 08; 109(48):11006-14. PubMed ID: 16331944
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  • 4. Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.
    Perdew JP, Ruzsinszky A, Tao J, Staroverov VN, Scuseria GE, Csonka GI.
    J Chem Phys; 2005 Aug 08; 123(6):62201. PubMed ID: 16122287
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  • 9. Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction.
    Csonka GI, Vydrov OA, Scuseria GE, Ruzsinszky A, Perdew JP.
    J Chem Phys; 2007 Jun 28; 126(24):244107. PubMed ID: 17614537
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  • 10. Small clusters of aluminum and tin: highly correlated calculations and validation of density functional procedures.
    Drebov N, Ahlrichs R.
    J Chem Phys; 2011 Mar 28; 134(12):124308. PubMed ID: 21456663
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  • 14. Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals.
    Jana S, Sharma K, Samal P.
    J Chem Phys; 2018 Oct 28; 149(16):164703. PubMed ID: 30384757
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  • 17. Assessing a new nonempirical density functional: difficulties in treating pi-conjugation effects.
    Sancho-García JC.
    J Chem Phys; 2006 Mar 28; 124(12):124112. PubMed ID: 16599667
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  • 20. Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory.
    Teale AM, Tozer DJ.
    J Chem Phys; 2005 Jan 15; 122(3):34101. PubMed ID: 15740186
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