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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules

Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules

Defranceschi, M.
Delhalle, J.

Paperback

Series: NATO Science Series C:, Book 271

ChemistryGeneral GardeningPhysics

ISBN10: 9401075476
ISBN13: 9789401075473
Publisher: Springer Nature
Published: Sep 27 2011
Pages: 360
Weight: 1.16
Height: 0.78 Width: 6.14 Depth: 9.21
Language: English
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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