Research Catalog

Computational quantum chemistry : an interactive guide to basis set theory

Title
Computational quantum chemistry : an interactive guide to basis set theory / Charles M. Quinn.
Author
Quinn, Charles M.
Publication
San Diego, Calif. : Academic Press, [2002], ©2002.

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TextRequest in advance QD462.6.D38 Q35 2002Off-site

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Details

Description
viii, 237 pages : color illustrations; 25 cm +
Subject
  • Quantum chemistry > Data processing
  • Gaussian basis sets (Quantum mechanics)
Bibliography (note)
  • Includes bibliographical references (p. [229]-230) and index.
Contents
1. Essential atomic orbital theory -- 2. Numerical integration -- 3. Orthonormality -- 4. The hydrogen atom - numerical solutions -- 5. The helium atom and the self-consistent field -- 6. One- and two-electron diatoms.
ISBN
  • 0125696825 (w/CD-ROM component : acid-free paper)
  • 0125696833 (printed on CD)
  • 0125696835 (CD) (canceled/invalid)
LCCN
2001091370
OCLC
  • ocm49550567
  • SCSB-4281329
Owning Institutions
Columbia University Libraries