## Molecular Physics and Elements of Quantum Chemistry: Introduction to Experiments and TheorySince the publication of the first edition of this book, there have been many im portant new developments in the field of molecular physics. The new methods and results which are most significant for students are treated extensively in this second edition. Among these are in particular single-molecule spectroscopy and the field of molecular electronics, which is in a stage of rapid development, including the areas of electroluminescence and organic light-emitting diodes. In addition, we have ex tended and corrected the earlier material in a number of places. We have also included exercises in this new edition; they will allow students to deepen their understanding and offer a basis for further individual study. The complete solutions to the exercises can be found on the Internet under www. springeronline. com/3-540-40792-S. We are grateful to Mr. C. -D. Bachem and Dr. Th. Schneider of the Springer Verlag for their continuous and very agreeable cooperation during the preparation of the book. We thank our colleague Prof. W. D. Brewer for his competent translation. Stuttgart, February 2004 H. Haken . H. C. Wolf Preface to the First Edition This textbook is intended for use by students of physics, physical chemistry, and theoretical chemistry. The reader is presumed to have a basic knowledge of atomic and quantum physics at the level provided, for example, by the first few chapters in our book The Physics of Atoms and Quanta. |

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### Contents

1 | |

9 | |

Molecules in Electric and Magnetic Fields | 27 |

Introduction to the Theory | 50 |

Problems | 83 |

Problems | 104 |

Similarity Transformations and Reduction of Matrices | 119 |

Problems | 142 |

RotationalVibrational Spectra of Diatomic Molecules | 205 |

Problems | 222 |

Electron Spin Resonance | 441 |

Macromolecules Biomolecules | 472 |

Experiments on and with Single Molecules | 503 |

Molecular Electronics and Other Applications | 527 |

Appendix 561 | 560 |

569 | |

Overview of Molecular Spectroscopy Techniques | 165 |

Rotational Spectroscopy | 171 |

Vibrational Spectroscopy | 193 |

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### Common terms and phrases

absorption angular momentum applied field approximation atomic orbitals axis band benzene bond length calculated carbon atom centre Chap chemical bonding coefficients coordinates corresponding Coulomb interaction denoted density determined diatomic molecule dielectric dipole eigenvalues electric field electron emission equilibrium example excited expectation value experimental expression fluorescence frequency function given Hamiltonian harmonic oscillator hydrogen atoms hydrogen molecule hyperfine infrared integral intensity internuclear distance inversion irreducible representations laser light linear combinations lines magnetic field mass matrix element measured method microwave molecular orbitals molecular physics motions normalisation nuclear spin nuclei observed obtain optical orientation plane point group polarisation possible potential curve protons quantisation quantum number quantum-mechanical radiation Raman resonance result rotational constant rotational levels rotational spectrum rotational-vibrational Schrödinger equation Sect selection rules shown in Fig Slater determinant spatial spectra spectroscopy structure symmetry operations Table temperature transition triplet vector wavefunctions wavenumber