For the best experience, please enable Javascript
x
Warning - This version of Internet Explorer is out of date. It has known security flaws and may not display all features of this website correctly. Please consider updating this browser.

Handbook of Computational Quantum Chemistry

Handbook of Computational Quantum Chemistry

By: David B. Cook

  • Reg. Price › $39.95
  • eBook
  • Sale Price › $31.96
  • Paperback + eBook
  • Reg. Price › $43.95
  • Share this book:
  • Share on Google+

Quantum chemistry forms the basis of molecular modeling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling, and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This comprehensive text provides upper-level undergraduates and graduate students with an introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations.
Written in a straightforward and accessible manner, this Handbook of Computational Quantum Chemistry encompasses such topics as the Hartree-Fock method; matrix SCF equations; the implementation of the closed-shell case; and an introduction to molecular integrals that extends to their implementation. Other topics and subtopics include open shells; population analysis; molecular symmetry and symmetry orbital transformations; linear multi-determinant methods; core potentials; time-dependent perturbations; density functional theory; and implementation of the Kohn-Sham equations. The text concludes with helpful suggestions for additional reading.

Reprint of the Oxford University Press, 1998 edition.
AvailabilityUsually ships in 24 to 48 hours
ISBN 100486443078
ISBN 139780486443072
Author/EditorDavid B. Cook
Page Count832
Dimensions5 3/8 x 8 1/2

You might also Like...

Product Review

Out of Stock Notification: