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Molecular Electronic-Structure Theory
Trygve Helgaker
€ 87.14
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Description for Molecular Electronic-Structure Theory
Paperback. Molecular electronic-structure theory uses quantum mechanics to calculate the energies and wave functions of molecules and their molecular properties. It uses sophisticated mathematics and computers to solved the wave equations. The calculations can be used to find out how the atoms of the molecule are linked together in a molecule. Num Pages: 944 pages. BIC Classification: PNRP. Category: (P) Professional & Vocational. Dimension: 248 x 190 x 48. Weight in Grams: 1792.
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.
This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include:
* Second quantization with spin adaptation
* Gaussian basis sets and molecular-integral evaluation
* Hartree-Fock theory
... Read more
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.
This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include:
* Second quantization with spin adaptation
* Gaussian basis sets and molecular-integral evaluation
* Hartree-Fock theory
... Read more
Product Details
Publisher
John Wiley & Sons Inc United States
Number of pages
944
Format
Paperback
Publication date
2013
Condition
New
Number of Pages
944
Place of Publication
New York, United States
ISBN
9781118531471
SKU
V9781118531471
Shipping Time
Usually ships in 4 to 8 working days
Ref
99-1
About Trygve Helgaker
Trygve Helgaker, Department of Chemistry, University of Oslo, Norway. Poul Jorgensen and Jeppe Olsen Department of Chemistry, University of Aarhus, Denmark.
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