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Title: Numerical application of a variational technique in quantum mechanics
Authors: Blakemore, Michael
Issue Date: 1977
Publisher: © Michael Blakemore
Abstract: The work presented in this thesis concerns the application of methods based on the one-electron Green's integral operator to certain quantum mechanical wave equations associated in particular with atomic and molecular systems. Estimates of eigenvalues and wavefunctions for such systems are computed by means of variational functionals based on this operator. In the case of molecular systems, the major difficulty is that of evaluating the resulting integrals. In the early part of the thesis, this problem is discussed in some detail with particular reference to the H+2 molecular ion. [Continues.]
Description: A Doctoral Thesis. Submitted in partial fulfilment of the requirements for the award of Doctor of Philosophy at Loughborough University.
Sponsor: Science Research Council (studentship).
URI: https://dspace.lboro.ac.uk/2134/35250
Appears in Collections:PhD Theses (Maths)

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