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Hartree-Fock theory theor

Kesyczynski, J. Goodman, L., Kwiatkowski, J. S., 1997, Density Functional Theory and Post-Hartree-Fock Studies on Molecular Structure and Harmonic Vibrational Spectrum of Formaldehyde , Theor. Chem. Acc., 97, 195. [Pg.292]

Scott, A. R Radom, L. Harmonic vibrational frequencies an evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors, J. Phys. Chem. 1996,100, 16502-16513. Halls, M. D. VeUcovski, J. Schlegel, H. B. Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set, Theor. Chem. Acc. 2001,105, 413-421. [Pg.93]

Poater J, Sola M, Duran M, Fradera X (2002) The calculation of electron localization and delocalization indices at the Hartree-Fock, density functional and post-Hartree-Fock levels of theory. Theor Chem Acc 107 362-371... [Pg.116]


See other pages where Hartree-Fock theory theor is mentioned: [Pg.146]   
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