## Quantum Mechanics for ChemistsQuantum Mechanics for Chemists is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics. The text assumes some knowledge of chemical bonding and a familiarity with the qualitative aspects of molecular orbitals in molecules such as butadiene and benzene. Thus it is intended to follow a basic course in organic and/or inorganic chemistry. The approach is rather different from that adopted in most books on quantum chemistry in that the Schr/dinger wave equation is introduced at a fairly late stage, after students have become familiar with the application of de Broglie-type wavefunctions to free particles and particles in a box. Likewise, the Hamiltonian operator and the concept of eigenfunctions and eigenvalues are not introduced until the last two chapters of the book, where approximate solutions to the wave equation for many-electron atoms and molecules are discussed. In this way, students receive a gradual introduction to the basic concepts of quantum mechanics. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples." |

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### Contents

ParticleWave Duality | 1 |

Particle in a Onedimensional Box | 26 |

Uncertainty Arising from the Wave Nature | 38 |

The Onedimensional Schrodinger Wave | 48 |

Rotational Motion | 68 |

The Hydrogen Atom | 92 |

Further Concepts in Quantum Mechanics | 114 |

l0 The Elements of the Periodic Table | 128 |

The Structure of Molecules | 136 |

Answers to Problems | 178 |

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2p orbitals 3d orbitals angular momentum vector antibonding orbital antisymmetric approximation atomic orbitals axis barrier Bohr bond length bond order bonding orbital Broglie butadiene Calculate carbon atoms Chapter Chemistry classical complex conjugated coordinates coulombic delocalization diagram diatomic molecule direction distance elec electron beam electron configuration electron energy ener energy levels equal to zero finding the particle function give given Hamiltonian operator helium helium atom Hiickel hybrid orbitals hydrogen atom hydrogen Is orbital illustrated in Figure internuclear ionization energy kinetic energy kJ mol known magnitude mass mathematical maximum metal molecular orbitals motion negative nitrogen node normalization constant nucleus obtained occupied one-dimensional oxygen particle moving Pauli exclusion principle photoelectrons photon plane position potential energy probability of finding Problem quantized quantum mechanics quantum number radial wavefunction repulsion rotational Schrodinger equation shown in Figure solutions spherical tion total energy trial wavefunction tron variable velocity vibration wave equation wavelength