Advances in Quantum Chemistry, Volume 6

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Academic Press, 31 lug 1972 - 412 pagine
Advances in Quantum Chemistry
 

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Indice

Chapter 1 Statistical ExchangeCorrelation in the SelfConsistent Field
1
Loge Theory and Related Methods
93
Chapter 3 Magnetic Circular Dichroism and Diamagnetic MolecuIes
143
Chapter 4 Collective Electron Oscillation in PiElectron Systems
159
Chapter 5 Molecular Orbital Theory of Chemical Reactions
177
Chapter 6 Unified Treatment of van der Waals Forces between Two Molecules of Arbitrary Sizes and Electron Delocalizations
203
Chapter 7 Natural Orbitals
235
Chapter 8 Matrix Elements and Density Matrices for ManyElectron Spin Eigenstates Built from Orthonormal Orbitals
267
Chapter 9 Upper and Lower Bounds to QuantumMechanical Properties
299
Chapter 10 Ab Initio Calculations on Large Molecules
333
AUTHOR INDEX
395
SUBJECT INDEX
409
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