Integraltafeln Zur Quantenchemie: Dritter Band

Name: Integraltafeln Zur Quantenchemie: Dritter Band
Brand: Springer
SKU: 9783642948336
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ISBN13: 9783642948336
Binding: Paperback
Subject: N/A
Publisher: Springer
Publisher Imprint: Springer
Publication Date: February 12, 2012
Pages: 564
Original Price: EUR 51.39
Language: German
Edition: Softcover Repri
Item Weight: 1271 grams
BISAC Subject(s): Chemistry / General

About The Book

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.

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