Perturbation Theory in Chemistry
Many of the ab initio quantum chemistry methods use perturbation theory directly or are closely related methods. Møller–Plesset perturbation theory uses the difference between the Hartree–Fock Hamiltonian and the exact non-relativistic Hamiltonian as the perturbation. The zero-order energy is the sum of orbital energies. The first-order energy is the Hartree–Fock energy and electron correlation is included at second-order or higher. Calculations to second, third or fourth order are very common and the code is included in most ab initio quantum chemistry programs. A related but more accurate method is the coupled cluster method.
Read more about this topic: Perturbation Theory
Famous quotes containing the words theory and/or chemistry:
“It makes no sense to say what the objects of a theory are,
beyond saying how to interpret or reinterpret that theory in another.”
—Willard Van Orman Quine (b. 1908)
“Science with its retorts would have put me to sleep; it was the opportunity to be ignorant that I improved. It suggested to me that there was something to be seen if one had eyes. It made a believer of me more than before. I believed that the woods were not tenantless, but choke-full of honest spirits as good as myself any day,—not an empty chamber, in which chemistry was left to work alone, but an inhabited house,—and for a few moments I enjoyed fellowship with them.”
—Henry David Thoreau (1817–1862)