Ab Initio Calculations

Language: English

Published by Springer, Springer Jun 1980, 1980

3540100059 / 9783540100058

  • Softcover
  • New
See all details

Seller: buchversandmimpf2000, Emtmannsberg, BAYE, Germanybuchversandmimpf2000

5-star seller

AbeBooks seller since January 23, 2017

Softcover

Condition: New

£ 47.26

£ 51.47 shipping 
Ships from Germany to U.S.A.

Quantity: 1 available

Add to basket
Free 30-day returns

Item description from seller

This item is printed on demand - Print on Demand Titel. Neuware -Until recently quantum chemical ab initio calculations were re stricted to atoms and very small molecules. As late as in 1960 Allen l and Karo stated : 'Almost all of our ab initio experience derives from diatomic LCAO calculations ¿¿¿ N and we have found in the litera ture 'approximately eighty calculations, three-fourths of which are for diatomic molecules ¿¿¿ There are approximately twenty ab initio calculations for molecules with more than two atoms, but there is a decided dividing line between the existing diatomic and polyatomic wave functions. Confidence in the satisfactory evaluation of the many -center two-electron integrals is very much less than for the diatom ic case'. Among the noted twenty calculations, SiH was the largest 4 molecule treated. In most cases a minimal basis set was used and the many-center two-electron integrals were calculated in an approximate way. Under these circumstances the ab initio calculations could hard ly provide useful chemical information. It is therefore no wonder that the dominating role in the field of chemical applications was played by semiempirical and empirical methods. The situation changed essentially in the next decade. The problem of many-center integrals was solved, efficient and sophisticated computer programs were devel oped, basis sets suitable for a given type of problem were suggested, and, meanwhile, a considerable amount of results has been accumulated which serve as a valuable comparative material. The progress was of course inseparable from the development and availability of computers.Springer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 260 pp. Englisch.…

Seller Inventory # 9783540100058

Title
Ab Initio Calculations
Author
Petr Carsky
Publisher
Springer, Springer Jun 1980
Publication year
1980
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
3540100059
ISBN 13
9783540100058
Item weight
400 grams
Dimensions
235x155x15 mm

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

5-star seller

AbeBooks seller since January 23, 2017

Shipping rates from Germany to U.S.A.

Item60 to 60 business days60 to 60 business days
First item£ 51.47£ 64.34
Delivery times are set by sellers and vary by carrier and location. Orders passing through Customs may face delays and buyers are responsible for any associated duties or fees. Sellers may contact you regarding additional charges to cover any increased costs to ship your items.

Payment methods

  • Visa
  • Mastercard
  • American Express
  • Apple Pay
  • Google Pay
  • Check
  • Paypal

Store description

Impressum Thorsten Retsch Buchversand Mimpf2000 Oberölschnitz 16 95517 Emtmannsberg Deutschland Telefon: 09209-2023188 Email: mimpf2000@online.de USt-ID-Nr.: DE 235096871 Wir führen gebrauchte Bücher aus allen Sparten der Literatur

Specialty

Modernes Antiquariat - Bücher von 1960 bis heute

Seller's business information

buchversandmimpf2000

Germany