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Springer Integraltafeln zur Quantenchemie: Dritter Band

black & white illustrations, bibliograph

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Description

Da der IV. Band schon fruher abgeschlossen werden konnte, erscheint so mit der hier vorliegende III. Band als letzter der vier Bande "Integraltafeln zur Quantenchemie". Er enthalt die wichtigsten Hilfsfunktionen tabelliert, die zur Berechnung von Zweizentren-Zweielektronen-Integralen notwendig sind. Da in den letzten J ahren dieselben Integrale auch von KOTANI und seinen Mitarbeitern in Japan sowie von MILLER, GERHAUSER und lViATSEN (USA) tabelliert worden sind und sich die berechneten Bereiche fast nie uberlappen, liegt jetzt in der Quantenchemie eine numerische Basis vor, die als eine gute Grundlage fUr bestimmte Rechnungen und Diskussionen angesehen werden kann. Inzwischen haben daruber hinaus SAHNI und COOLEY sowie weitere Autoren umfangreiche Tabellen angekundigt, die gr6Btenteils schon vor der Vollendung stehen. Man darf heute sagen, daB diese Form der quantenchemischen Forschung, die zu ihren Untersuchungen ein groBes Integraltabellenmaterial ben6tigt, durch diese Arbeiten einen groBen Auftrieb erhalten wird und daB dadurch ganz besonders die Behandlung kleiner Molektile erleichtert werden wird. Ein Hinweis scheint mir aber im Anblick der immer umfangreicher werden den Tabellenwerke nicht unn6tig, daB es namlich nicht das Ziel der quantenchemischen Forschung sein kann, die numerische Basis immer wieder zu erweitern, denn das wirkliche numerische Problem der Quantenchemie ist ein Dimensionsproblem, welches durch Tabellen nur gemildert, nie ge16st werden kann.

Product Specifications

Format
paperback
Domain
Amazon UK
Publication Date
12 February 2012
Listed Since
21 December 2012

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