Valence bond theory. (2002)

• Record Type: Book
• Further Information: Note: Edited by David L. Cooper.
• Other Names: Cooper, D. L
• Contents: A short history of VB theory / G.A. Gallup -- Modern valence bond description of gas-phase pericyclic reactions / David L. Cooper, Peter B. Karadakov, Thorstein Thorsteinsson -- Complete active space valence bond (CASVB) method and its application to chemical reactions / Haruyuki Nakano, Kazushi Sorakubo, Kenichi Nakayama, Kimihiko Hirao -- TURTLE, a gradient VBSCF program theory and studies of aromaticity / Joop H. van Lenthe, Fokke Dijkstra, Remco W.A. Havenith -- Generalized multistructural method : theoretical foundations and applications / A.G.H. Barbosa, M.A.C. Nascimento -- A spin-free approach for valence bond theory and its applications / Wei Wu, Yirong Mo, Zexing Cao, Qianer Zhang -- BOVB, a valence bond method incorporating static and dynamic correlation effects / P.C. Hiberty, S. Shaik -- The biorthogonal valence bond method / Joseph J.W. McDouall -- Recent developments of the SCVB method / M. Sironi, M. Raimondi, R. Martinazzo, F.A. Gianturco, D.L. Cooper -- The generalized multiconfiguration spin-coupled method, STO optimization, and the electronic structure of BH₃ in its ground state / F.E. Penotti -- Ab initio computational approaches to weakly interacting systems in the framework of the valence bond theory : from small to large van der Waals molecules / Antonino Famurali, Roberto Specchio, Ermanno Gianinetti, Mario Raimondi -- Valence bond structures for some molecules with four singly-occupied active-space orbitals : electronic structures, reaction mechanisms, metallic orbitals / Richard D. Harcourt -- The spin-free valence bond method : applications to metallic and electron rich systems / Reinaldo O. Vianna, Andréa D. Quintão -- VB analysis of wavefunctions calculated for chemical reactions in solution / Claudio Amovilli -- Resonating valence-bond theories for carbon [pi]-networks and classical/quantum connections / D.J. Klein -- Clar's [pi]-aromatic sextet revisited / Milan Randić -- A valence bond view of fullerenes / T.G. Schmalz -- Valence bond calculations and their applications to medium-sized conjugated hydrocarbons / Y. Jiang, S. Li -- Symmetric group approach to the theory of Heisenberg lattices / Norbert Flocke, Jacek Karwowski -- Valence bond theory of quantum cell models / S. Ramasesha, Z.G. Soos -- Spin permutation technique in the theory of strongly correlated electron systems / V.O. Cheranovskii -- Many body VB ansätze : from polymers and ladder materials to the square lattice / M.A. Garcia-Bach -- Exact ground states of one- and two-dimensional frustrated quantum spin systems / A.A. Ovchinnikov, V. Ya. Krivnov, D.V. Dmitriev.
• Publisher Details: Place of publication not identified : Elsevier Science
• Publication Date: 2002
• Extent: 1 online resource (836 pages)
• Subjects: 541.2/24; Valence (Theoretical chemistry); Valence (Theoretical chemistry); Valenztheorie (Chemie); Valencia (Química teórica)
• Languages: English
• ISBNs: 9780080543499; 0080543499
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.