III - Continuum states and scattering theory
Published online by Cambridge University Press: 23 December 2009
Summary
This part extends quantum variational theory to continuum states. In particular, variational principles are developed for wave function continuity at specified energy, which is the usual context of scattering theory. Chapter 7, concerned with multiple scattering theory, lies somewhere between the theory of bound states and true scattering theory. Formalism appropriate to the latter is adapted to computing the electronic structure of large molecules and periodic solids, whose energy levels are determined by consistency conditions for wave function continuity. A variational formalism is derived for energy linearization. Chapter 8 develops variational principles and methods suitable for the true continuum problem of electron scattering at specified energy. Chapter 9 presents methodology, some very recent, that allows rotational and vibrational effects in electron–molecule scattering to be treated as a practicable extension of fixed-nuclei variational theory.
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- Publisher: Cambridge University PressPrint publication year: 2002