Abstract
We can learn a lot from the exact solution of the Schrödinger equation of simple systems. Still, it is more important to pursue our original aim and deal with real chemical problems. Thus we will now move on to discuss multiparticle systems, especially molecules. This step marks our entrance into the world of quantum chemistry, while we have so far concerned ourselves with issues of quantum mechanics.
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Suggested Reading
Azumi, T., and K. Matsuzaki: Photochem. Photobiol. 25 315–326 (1977). This is an excellent summary of the details of the Born—Oppenheimer approximation.
Born, M., and K. Huang, Dynamical Theory of Crystal Lattices. Oxford Univ. Press, Oxford, 1954. This contains a general theory and discussion about the effects of the Born—Oppenheimer approximation; adiabatic and diabatic cases.
Born, M., and J. R. Oppenheimer, Ann. Phys. 84 457 (1927). The original work of Born and Oppenheimer. Bottcher, C., “Excited-State Potential Energy Surfaces and their Applications”, in Potential Energy Surfaces.
K. P. Lawley, ed. Wiley, New York, 1980. This chapter reviews the methods available for calculating potential surfaces associated with the electronically excited states of molecules.
Boulil, B. O. Henri-Rousseau, and M. Donnie, J Chem. Educ. 65 395–399 (1988). Born—Oppenheimer and pseudo Jahn—Teller effects.
Dirac, P. A. M., Quantum Mechanics. Oxford Univ. Press, Oxford, 1953. This is the classic book of relativistic quantum mechanics.
Fernandez, G. M., J. A. Sordo, and T. L. Sordo, J. Chem. Educ. 65 665–667 (1988). This provides an understandable description of the analysis of potential surfaces.
Fluendy M. A. D., and K. P. Lawley, Essays in Chemistry 5 25–61 (1973). Discusses potential surface and the dynamics of a chemical process.
Kozlowski, P. M., and L. Adamowicz, Chem. Rev. 93 2007–2022 (1993). Presents the theory of the Born—Oppenheimer approximation; adiabatic and nonadiabatic approaches.
Lawley, K. P, editor, Potential Energy Surfaces. Wiley, New York, 1980. This contains several applications of the potential energy surface concept.
Mezey, P. G., Potential Energy Hypersurfaces, Elsevier, Amsterdam, 1987.
Moss, R. E., Advanced Molecular Quantum Mechanics: An Introduction to the Relativistic Quantum Mechanics and the Quantum Theory of Radiation. Chapman and Hall, London, 1973. This is a comprehensive and yet readable introduction to relativistic quantum theory.
Muriel, J. N., and S. D. Bosenac, Introduction to the Theory of Atomic and Molecular Collisions. Wiley, Chichester, 1989. See Chapter 6, Beyond the Born—Oppenheimer approximation.
Polanyi, J. C., “The Transition State”, in The Chemical Bond. Structure and Dynamics. A. Zewail, ed. Academic Press, Boston, 1992. This shows how experiments clarify the concept of the potential surface.
Rigby, M., E. B. Smith, W A. Wakeham, and G. C. Maitland, The Forces between Molecules. Clarendon Press, Oxford, 1986, pp. 165–213. This is an excellent summary of what is known on potential energy surfaces.
Tully, J. C., “ Semiempirical Diatomics-in-Molecules Potential Energy Surfaces”, in Potential Energy Surfaces. K. P. Lawley, ed. Wiley, New York, 1980. Using the potential surface concept, it discusses several important phenomena, such as energy transfer, charge transfer, spin-forbidden reactions, electronic-to-vibrational energy transfer, and radiationless transitions.
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© 1999 Springer Science+Business Media New York
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Veszprémi, T., Fehér, M. (1999). Quantum Chemistry: A Hierarchy of Approximations. In: Quantum Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4189-9_4
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DOI: https://doi.org/10.1007/978-1-4615-4189-9_4
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