Abstract
This looks at the basic theory behind common electronic
structure methods. Topics include: mathematical review, many
electron wave functions and operators, the Hartree-Fock
approximation, configuration interaction, pair and
coupled-pair theories, many-body perturbation theory, the
one-particle many-body Green's function, integral evaluation
with $1s$ primitive Gaussians, two-electron
self-consistent-field program, analytic derivative methods and
geometry optimisations, and molecular integrals for H2 as
a function of bond length. Each chapter has a bibliography and
exercises.
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