Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy


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International Edition


About the Book

The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiments. This focus is similar to the one taken in the book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. This text is intended for researchers, teachers and students in chemistry and physics.


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Product Details
  • ISBN-13: 9780792332640
  • Publisher: Kluwer Academic Publishers
  • Publisher Imprint: Kluwer Academic Publishers
  • Depth: 31
  • Language: English
  • Returnable: Y
  • Spine Width: 31.75 mm
  • Width: 163 mm
  • ISBN-10: 0792332644
  • Publisher Date: 28 Feb 1995
  • Binding: Hardback
  • Height: 250 mm
  • No of Pages: 402
  • Series Title: Fluid Mechanics and Its Applications
  • Weight: 870 gr


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