Quantum chemistry

著者

• McQuarrie, Donald A. (Donald Allan)

書誌事項

Quantum chemistry

Donald A. McQuarrie

University Science Books, c2008

2nd ed

注記

Includes index

内容説明・目次

内容説明

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.

目次

The Dawn of Quantum Theory.- The Classical Wave Equation.- The Schroedinger Equation and a Particle in a Box.- The Postulates and General Principles of Quantum Mechanics.- The Harmonic Oscillator and Vibrational Spectroscopy.- The Rigid Rotator and Rotational Spectroscopy.- The Hydrogen Atom.- Approximation Methods.- Many-Electron Atoms.- The Chemical Bond: One-and-Two-Electron Molecules.- Qualitative Theory of Chemical Bonding.- Appendices.- Solutions of Problems.- Index.

「Nielsen BookData」 より

• NII書誌ID(NCID): BA83951557
• ISBN:
  • 9781891389504
• LCCN: 2007023879
• 出版国コード: us
• タイトル言語コード: eng
• 本文言語コード: eng
• 出版地: Sausalito, Calif.
• ページ数/冊数: xiii, 690 p.
• 大きさ: 26 cm
• 分類:
  • LCC : QD462
  • DC22 : 541/.28
• 件名:
  • LCSH : Quantum chemistry