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Problem Solving in Computational Molecular Science

Problem Solving in Computational Molecular Science Molecules in Different Environments : [Proceedings of the NATO Advanced Study Institute on Problem Solving in Computational Molecular Science: Molecules in Different Environments, Bad Windsheim, Germany 12-22 August 1996] - NATO ASI Series. Series C, Mathematical and Physical Sciences

1997

Hardback (30 Sep 1997)

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Publisher's Synopsis

For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as `standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them.
This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained.

Book information

ISBN: 9780792347514
Publisher: Springer Netherlands
Imprint: Springer
Pub date:
Edition: 1997
DEWEY: 541.028551
DEWEY edition: 21
Language: English
Number of pages: 416
Weight: 813g
Height: 230mm
Width: 171mm
Spine width: 31mm