Molecular quantum mechanics
Oxford University Press, 1997 - Language Arts & Disciplines - 545 pages
Molecular Quantum Mechanicsestablished itself as a classic as soon as the original edition appeared. Maintaining the important and essential spirit of the earlier editions, this third edition remains in the forefront of its field. The book has been entirely rewritten to present the subject more clearly than ever before, and the use of two-color art helps to make the text even more accessible. The text remains unique in the range of topics it covers, from the foundations of quantum mechancis to applications such as spectroscopy and the electric and magnetic properties of matter. Two entirely new chapters have been added to this third edition. One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory. Anyone teaching courses using quantum mechanics, particularly quantum chemistry, will not only find this volume authoritative but highly approachable as well.
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Introduction and orientation
The foundations of quantum mechanics
The postulates of quantum mechanics
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amplitude antisymmetric approximation atomic orbitals axis basis functions basis set bond calculation Chapter character table classical coefficients commutation component configuration consider constant contribution coordinates corresponding Coulomb degeneracy denoted density derivatives diatomic molecules differential displacement effect eigenfunction eigenvalue electric dipole electron energy levels evaluate example excited expectation value expression first-order follows frequency Gaussian ground-state group theory hamiltonian harmonic oscillator Hartree-Fock hence Hint hydrogen atom interaction irreducible representation ligand linear combination linear momentum magnetic field matrix elements Method modes molecular orbital momenta motion nonzero normal nuclear nucleus obtained orbital angular momentum overlap particle perturbation theory polarizability potential energy problem properties quantum mechanics quantum number radiation relation result rotation scattering Schrodinger equation Section secular determinant selection rules Slater determinants solutions solve span spherical spherical harmonics spin spinorbitals structure symmetry operations symmetry species tion vector vibrational wave wavefunction write zero