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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules (Hardcover, 1989 ed.)
Loot Price: R5,346
Discovery Miles 53 460
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Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules (Hardcover, 1989 ed.)
Series: NATO Science Series C, 271
Expected to ship within 10 - 17 working days
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Quantum mechanical calculations in physics, chemistry and biology
are widely recognized as useful interpretative and predictive
tools. Unfortunately, they are plagued by unfavorable convergence
limitations due to the use of finite linear combinations of basis
functions. With the current computer technologies, there is a
possible way out to the situation by solving numerically the
corresponding wave equations. The present interest and need for
numerical determination of electronic structure of atoms, diatomic
and poly atomic molecules led us to organize a NATO-ARW devoted to
these questions. The aim of the meeting was to provide a review of
the state of the art about techniques and applications. The
organizing committee consisted of Drs. G. Berthier, P. Claverie, M.
Defranceschi, J. Delhalle, H.J. Monkhorst and P. Pyykk6. It was a
great sorrow for us to be informed in January 88 of the death of
Professor P. Claverie who supported so enthusiastically the idea of
having such a meeting organized. The NATO Advanced Research Worshop
on : " Numerical Determination of the Electronic Structure of
Atoms, Diatomic and Poly atomic Molecules" was held at Versailles
(France) from April 17th till April 22th, 1988.
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