Theory of Molecular Rydberg States.

Cover; THEORY OF MOLECULAR RYDBERG STATES; Cambridge Molecular Science; Title; Copyright; Contents; Preface; 1 Molecular Rydberg states; 1.1 The nature of Rydberg states; 1.2 Organization of the text; References; 2 The quantum defect picture; 2.1 Introduction; 2.2 Coulomb wavefunctions; 2.2.1 Closed-channel solutions: E <I; 2.2.2 Strongly closed channels; 2.3 Single-channel quantization; 2.4 Coupled channels; 2.4.1 Open-channel case; 2.4.2 Resonant case; 2.4.3 Closed-channel case; References; 3 Ab-initio quantum defects; 3.1 Traditional quantum chemistry.

3.2 Constrained ab-initio wavefunctions3.3 The R-matrix matching procedure; 3.4 The Wigner-Eisbud R-matrix; 3.4.1 R-matrix derivation; 3.4.2 Buttle correction; 3.5 Variational R-matrix theory; 3.5.1 Standard method; 3.5.2 Eigenchannel method; 3.5.3 Convergence tests; 3.5.4 Spheroidal basis functions; 3.6 Rydberg-valence interactions; 3.7 The influence of positive ion dipoles; 3.7.1 General considerations; 3.7.2 Group II mono-fluorides; 3.7.3 Dipole modified Coulomb functions; References; 4 Frame transformations and channel interactions; 4.1 Physical assumptions; 4.1.1 The classical picture.

4.1.2 Frame transformation types4.2 Rotational channel interactions; 4.2.1 Elementary case (b)? case (d) transformation; 4.2.2?-doubling; 4.2.3 l-uncoupling in non-penetrating series; 4.2.4 Stroboscopic beats between electronic and nuclear motion; 4.3 Vibrational channel interactions; 4.3.1 Bound-state eigenvalues; 4.3.2 Vibrationally induced auto-ionization and rotational branching ratios; 4.4 Vibronic channel interactions; 4.4.1 Configuration interaction; 4.4.2 Jahn-Teller channel coupling; References; 5 Competitive fragmentation; 5.1 Perturbation model for diatomic species.

5.2 Diatomic predissociation5.3 Dissociative recombination and related phenomena; 5.3.1 Competing processes; 5.3.2 Two-step theory; 5.4 R-matrix formulation; 5.5 Vibronically induced dissociative recombination of H3+; 5.5.1 The Jahn-Teller mechanism; 5.5.2 A spectroscopic related model; References; 6 Photo-excitation; 6.1 Introduction; 6.2 n-photon discrete absorption; 6.2.1 Single-photon absorption; 6.2.2 Coherent two-photon absorption; 6.3 Spherical tensor representation; 6.4 Spatial selectivity; 6.5 Resonant two-photon excitation; 6.6 Multiphoton band structure; 6.6.1 Symmetric tops.

6.6.2 Asymmetric tops6.7 Angular momentum decoupling in high Rydberg states; 6.8 ZEKE intensities; 6.8.1 Asymmetric band profiles; 6.8.2 Symmetry selection rules; References; 7 Photo-ionization; 7.1 Boundary conditions and cross-sections; 7.2 The photo-ionization matrix element; 7.3 Integrated cross-section; 7.3.1 General formulation; 7.3.2 Photo-ionization selection rules; 7.4 Differential cross-section; 7.4.1 General formulation; 7.4.2 Asymmetry parameters; 7.4.3 Information content; 7.5 Fixed molecule angular distribution; 7.6 Resonant two-photon ionization.

7.6.1 The optical density matrix.

The first single-authored book dedicated to the theory of molecular Rydberg states by multi-channel quantum defect and ab initio methods.

Print version record.

Includes bibliographical references and index.

English.

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