Valence Bond Theory

Content: 
Preface
Page v

Chapter 1 A short history of VB theory Original Research Article
Pages 1-39
G.A. Gallup

Chapter 2 Modern valence bond description of gas-phase pericyclic reactions Original Research Article
Pages 41-53
David L. Cooper, Peter B. Karadakov, Thorstein Thorsteinsson

Chapter 3 Complete active space valence bond (CASVB) method and its application to chemical reactions Original Research Article
Pages 55-77
Haruyuki Nakano, Kazushi Sorakubo, Kenichi Nakayama, Kimihiko Hirao

Chapter 4 TURTLE—A gradient VBSCF program theory and studies of aromaticity Original Research Article
Pages 79-116
Joop H. van Lenthe, Fokke Dijkstra, Remco W.A. Havenith

Chapter 5 Generalized multistructural method: Theoretical foundations and applications Original Research Article
Pages 117-142
A.G.H. Barbosa, M.A.C. Nascimento

Chapter 6 A spin-free approach for valence bond theory and its applications Original Research Article
Pages 143-185
Wei Wu, Yirong Mo, Zexing Cao, Qianer Zhang

Chapter 7 BOVB—A valence bond method incorporating static and dynamic correlation effects Original Research Article
Pages 187-225
P.C. Hiberty, S. Shaik

Chapter 8 The biorthogonal valence bond method Original Research Article
Pages 227-259
Joseph J.W. McDouall

Chapter 9 Recent developments of the SCVB method Original Research Article
Pages 261-277
M. Sironi, M. Raimondi, R. Martinazzo, F.A. Gianturco, D.L. Cooper

Chapter 10 The Generalized Multiconfiguration Spin-Coupled method, STO optimization, and the electronic structure of BH3 in its ground state Original Research Article
Pages 279-312
F.E. Penotti

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 Original Research Article
Pages 313-347
Antonino Famurali, Roberto Specchio, Ermanno Gianinetti, Mario Raimondi

Chapter 12 Valence bond structures for some molecules with four singly-occupied active-space orbitals: electronic structures, reaction mechanisms, metallic orbitals Original Research Article
Pages 349-378
Richard D. Harcourt

Chapter 13 The spin-free valence bond method: applications to metallic and electron rich systems Original Research Article
Pages 379-414
Reinaldo O. Vianna, Andréa D. Quintão

Chapter 14 VB analysis of wavefunctions calculated for chemical reactions in solution Original Research Article
Pages 415-445
Claudio Amovilli

Chapter 15 Resonating valence-bond theories for carbon π-networks and classical/quantum connections Original Research Article
Pages 447-502
D.J. Klein

Chapter 16 Clar\'s π-aromatic sextet revisited Original Research Article
Pages 503-533
Milan Randić

Chapter 17 A valence bond view of fullerenes Original Research Article
Pages 535-564
T.G. Schmalz

Chapter 18 Valence bond calculations and their applications to medium-sized conjugated hydrocarbons Original Research Article
Pages 565-602
Y. Jiang, S. Li

Chapter 19 Symmetric group approach to the theory of Heisenberg lattices Original Research Article
Pages 603-634
Norbert Flocke, Jacek Karwowski

Chapter 20 Valence bond theory of quantum cell models Original Research Article
Pages 635-697
S. Ramasesha, Z.G. Soos

Chapter 21 Spin permutation technique in the theory of strongly correlated electron systems Original Research Article
Pages 699-727
V.O. Cheranovskii

Chapter 22 Many body VB ansätze. From polymers and ladder materials to the square lattice Original Research Article
Pages 729-768
M.A. Garcia-Bach

Chapter 23 Exact ground states of one- and two-dimensional frustrated quantum spin systems Original Research Article
Pages 769-810
A.A. Ovchinnikov, V.Ya. Krivnov, D.V. Dmitriev

Index
Pages 811-816