• Unrestricted HartreeFock (UHF) theory is the most common molecular orbital method for open shell molecules where the number of electrons of each spin...
    5 KB (742 words) - 14:41, 18 August 2023
  • molecular physics, within the HartreeFock theory, the atomic and molecular orbitals can be defined by the eigenvectors of the Fock operator. The corresponding...
    102 KB (13,582 words) - 05:47, 26 October 2024
  • rings. 1926 Adams-Moulton method. 1927 – Douglas Hartree creates what is later known as the HartreeFock method, the first ab initio quantum chemistry methods...
    28 KB (2,913 words) - 15:16, 15 July 2024
  • Thumbnail for History of chemistry
    Robert Oppenheimer, Linus Pauling, Erich Hückel, Douglas Hartree and Vladimir Aleksandrovich Fock, to cite a few.[citation needed] Still, skepticism remained...
    156 KB (19,387 words) - 08:22, 2 November 2024