All Stories

  1. MacroQC 1.0: An electronic structure theory software for large-scale applications

    Article • The Journal of Chemical Physics, January 2022, American Institute of Physics

    Uğur Bozkaya

  2. Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation

    Article • The Journal of Chemical Physics, September 2021, American Institute of Physics

    Uğur Bozkaya

  3. Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation

    Article • The Journal of Chemical Physics, December 2020, American Institute of Physics

    Uğur Bozkaya

  4. Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation

    Article • Journal of Computational Chemistry, November 2017, Wiley

    Uğur Bozkaya

  5. Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials, chemical hardnesses, and electrophilicity indices

    Article • Journal of Computational Chemistry, October 2015, Wiley

    Uğur Bozkaya

  6. Assessment of the orbital-optimized coupled-electron pair theory for thermochemistry and kinetics: Improving on CCSD and CEPA(1)

    Article • Journal of Computational Chemistry, March 2014, Wiley

    Uğur Bozkaya