Description
Valence bond (VB) theory, which builds the descriptions of molecules from those of its constituent parts, provided the first successful quantum mechanical treatments of chemical bonding. Its language and concepts permeate much of chemistry, at all levels. Various modern formulations of VB theory represent serious tools for quantum chemical studies of molecular electronic structure and reactivity. In physics, there is much VB-based work (particularly in semi-empirical form) on larger systems.
Importance of Topic
The last decade has seen significant advances in methodology and a vast increase in the range of applications, with many new researchers entering the field.
Why This Title
Valence Bond Theory succeeds in presenting a comprehensive selection of contributions from leading valence bond (VB) theory researchers throughout the world. It focuses on the vast increase in the range of applications of methodology based on VB theory during the last decade and especially emphasizes recent advances.
Chapter
Chapter 2. Modern Valence-Bond Description of Gas-Phase Pericyclic Reactions
pp.：
62 – 76
Chapter 3. Complete Active Space Valence Bond (CASVB) Method and its Application to Chemical Reactions
pp.：
76 – 100
Chapter 4. TURTLE - A Gradient VBSCF Program. Theory and Studies of Aromaticity
pp.：
100 – 138
Chapter 5. Generalized Multistructural Method: Theoretical Foundations and Applications
pp.：
138 – 164
Chapter 6. A Spin-Free Approach for Valence Bond Theory and its Applications
pp.：
164 – 208
Chapter 7. BOVB - A Valence Bond Method Incorporating Static and Dynamic Electron Correlation Effects
pp.：
208 – 248
Chapter 8. The Biorthogonal Valence Bond Method
pp.：
248 – 282
Chapter 9. Recent Development of the SCVB Method
pp.：
282 – 300
Chapter 10. The Generalized Multiconfiguration Spin-Coupled Method, STO Optimization, and the Electronic Structure of BH3 in its Ground State
pp.：
300 – 334
Chapter 11. Ab Initio Computational Approaches to Weakly Interacting Systems in the Framework of the Valence Bond Theory: From Small to Large van der Waals Molecules
pp.：
334 – 370
Chapter 12. Valence Bond Structures for Some Molecules with Four Singly-Occupied Active-Space Orbitals: Electronic Structures, Reaction Mechanisms, Metallic Orbitals
pp.：
370 – 400
Chapter 13. The Spin–Free Valence Bond Method: Applications to Metallic and Electron Rich Systems
pp.：
400 – 436
Chapter 14. VB Analysis of Wavefunctions Calculated for Chemical Reactions in Solution
pp.：
436 – 468
Chapter 15. Resonating Valence-Bond Theories for Carbon π-Networks and Classical/Quantum Connections
pp.：
468 – 524
Chapter 16. Clar's pi-Aromatic Sextet Revisited
pp.：
524 – 556
Chapter 17. A Valence Bond View of Fullerenes
pp.：
556 – 586
Chapter 18. Valence-Bond Calculations and Their Applications to Medium-Sized Conjugated Hydrocarbons
pp.：
586 – 624
Chapter 19. Symmetric Group Approach to the Theory of Heisenberg Lattices
pp.：
624 – 656
Chapter 20. Valence Bond Theory of Quantum Cell Models
pp.：
656 – 720
Chapter 21. Spin Permutation Technique in the Theory of Strongly Correlated Electron Systems
pp.：
720 – 750
Chapter 22. Many Body VB Ansätze. From Polymers and Ladder Materials to the Square Lattice
pp.：
750 – 790
Chapter 23. Exact Ground State of One- and Two-Dimensional Frustrated Quantum Spin Systems
pp.：
790 – 832
Valence Bond Theory
( Volume 10 )
Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.
