By David B. Cook
Written in an easy and available demeanour, this Handbook of Computational Quantum Chemistry encompasses such themes because the Hartree-Fock approach; matrix SCF equations; the implementation of the closed-shell case; and an advent to molecular integrals that extends to their implementation. different subject matters and subtopics contain open shells; inhabitants research; molecular symmetry and symmetry orbital modifications; linear multi-determinant tools; center potentials; time-dependent perturbations; density practical conception; and implementation of the Kohn-Sham equations. The textual content concludes with priceless feedback for added reading.
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