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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Computational Techniques in Quantum Chemistry and Molecular Physics - Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4-21 September, 1974 (Hardcover, 1975 ed.)
Loot Price: R5,454
Discovery Miles 54 540
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Computational Techniques in Quantum Chemistry and Molecular Physics - Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4-21 September, 1974 (Hardcover, 1975 ed.)
Series: NATO Science Series C, 15
Expected to ship within 18 - 22 working days
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This book contains the transcripts of the lectures presented at the
NATO Advanced study Institute on "Computational Techniques in
Quantum Chemistry and Molecular Physics," held at Ramsau, Germany,
4th - 21st Sept. 1974. Quantum theory was developed in the early
decades of this century and was first applied to problems in
chemistry and molecular physics as early as 1927. It soon emerged
however, that it was impossible to con sider any but the simplest
systems in any quantita tive detail because of the complexity of
Schrodinger's equation which is the basic equation for chemical and
molecular physics applications. This remained the si tuation until
the development, after 1950, of elec tronic digital computers. It
then became possible to attempt approximate solutions of
Schrodinger's equa tion for fairly complicated systems, to yield
results which were sufficiently accurate to make comparison with
experiment meaningful. Starting in the early nineteen sixties in
the United States at a few centres with access to good computers an
enormous amount of work went into the development and
implementation of schemes for approximate solu tions of
Schrodinger's equation, particularly the de velopment of the
Hartree-Fock self-consistent-field scheme. But it was soon found
that the integrals needed for application of the methods to
molecular problems are far from trivial to evaluate and cannot be
easily approximated."
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