Quantum Chemistry - Hardcover

McQuarrie, Donald A.

Hardcover

ISBN 10: 1891389505 ISBN 13: 9781891389504

Verlag: University Science Books,U.S., 2007

Inhaltsangabe

The biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie presents step-by-step SCF calculations of a helium atom and a hydrogen molecule, in addition to including the Hartree-Fock method and post-Hartree-Fock methods.

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Biografía del autor:

DONALD A. MCQUARRIE, University of California, Davis, USA

Reseña del editor:

After twenty-four years in print, Don McQuarrie has now updated his landmark "Quantum Chemistry". Perhaps the biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie has presented step-by-step SCF calculations of a helium atom in Chapter 9 and a hydrogen molecule in Chapter 10, in addition to including an entire chapter on the Hartree-Fock method and post-Hartree-Fock methods for the calculation of molecular properties. The book also uses problems to encourage the use of an invaluable National Institute of Science and Technology (NIST) website that lists experimental data and the results of various ab initio calculations for hundreds of molecules.

Über diese Auflage

• Verlag: University Science Books,U.S.
• Erscheinungsdatum: 2007
• ISBN 10: 1891389505
• ISBN 13: 9781891389504
• Einband: Tapa dura
• Auflage: 2
• Anzahl der Seiten: 572