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Ab Initio Calculations
Carsky, Petr; Urban, Miroslav
€ 66.88
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Description for Ab Initio Calculations
Paperback. Series: Lecture Notes in Chemistry. Num Pages: 253 pages, biography. BIC Classification: PNN; PNRP. Category: (P) Professional & Vocational. Dimension: 234 x 156 x 13. Weight in Grams: 370.
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 ... Read more
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 ... Read more
Product Details
Format
Paperback
Publication date
1980
Publisher
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Germany
Number of pages
253
Condition
New
Series
Lecture Notes in Chemistry
Number of Pages
247
Place of Publication
Berlin, Germany
ISBN
9783540100058
SKU
V9783540100058
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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