The Hartree–Fock (HF) method lies at the heart of quantum chemistry as a self-consistent, mean-field approach for approximating many-electron wave functions. By employing a Slater determinant of ...
Vertical, well-to-well, and adiabatic ionization energies (IEs) and electron affinities (EAs) were calculated for the n=1-10 [n]acenes using a wide range of semiempirical, Hartree-Fock, density ...
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