Ebook: Aspects of Many-Body Effects in Molecules and Extended Systems: Proceedings of the Workshop-Cum-Symposium Held in Calcutta, February 1–10, 1988

This volume features invited lectures presented in the workshop-cum-symposium on aspects of many-body effects in molecules and extended systems, Calcutta, February 1 - 10, 1988. The organizers invited leading experts to present recent developments of many-body methods as applied to molecules and condensed systems. The panorama portrayed is quite broad, but by no means exhaustive. The emphasis is undoubtedly on a "molecular point of view".

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This volume features invited lectures presented in the workshop-cum-symposium on aspects of many-body effects in molecules and extended systems, Calcutta, February 1 - 10, 1988. The organizers invited leading experts to present recent developments of many-body methods as applied to molecules and condensed systems. The panorama portrayed is quite broad, but by no means exhaustive. The emphasis is undoubtedly on a "molecular point of view".

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This volume features invited lectures presented in the workshop-cum-symposium on aspects of many-body effects in molecules and extended systems, Calcutta, February 1 - 10, 1988. The organizers invited leading experts to present recent developments of many-body methods as applied to molecules and condensed systems. The panorama portrayed is quite broad, but by no means exhaustive. The emphasis is undoubtedly on a "molecular point of view".
Content:
Front Matter....Pages I-VIII
Front Matter....Pages 1-1
Separability Problem in General Many Electron Systems....Pages 3-33
Quantum Chemistry in Fock Space....Pages 35-67
Size Extensivity Correction for CI Energies Based on Complete Active Space Reference Functions....Pages 69-76
Front Matter....Pages 77-77
Dynamic Variational Principles and Extended Coupled Cluster Techniques....Pages 79-100
SAC-CI Calculations of the Excited and Ionized States of Conjugated Molecules....Pages 101-122
Atomic and Molecular Application of Effective Hamiltonian Formalism in Complete and Incomplete Model Spaces....Pages 123-142
Applications of Multi-Reference Coupled-Cluster Theory....Pages 143-153
Applications of the Open-Shell Coupled-Cluster Method....Pages 155-164
An Explicitly Connected Many-Body Perturbation Theory for Incomplete Model Space....Pages 165-183
Front Matter....Pages 185-185
Propagators for Molecular Electronic Spectra....Pages 187-206
Transition Moments in RPA-Like Approximations....Pages 207-222
Application of One Electron Propagator Method in the Treatment of Resonances....Pages 223-237
Front Matter....Pages 239-239
Quantum Fluid Dynamics: An Extended Coupled Cluster Treatment....Pages 241-260
Quasiparticles in Extended Systems — A Coupled-Cluster Approach....Pages 261-279
Electronic Structure and Spectra of Polyenes....Pages 281-300
Proton Transfer in Water and Ice: Solitonic Models for Structural Defects in the Hydrogen-Bonded Network....Pages 301-318
Front Matter....Pages 319-319
On the Development of Time Dependent Cluster Expansion Techniques for Molecular Dynamics....Pages 321-332
Electrochemical Electron Transfer: Accounting for Non-Adiabaticity Using a Bosonised Hamiltonian....Pages 333-350
Front Matter....Pages 351-351
Generalization of Kato’s Cusp Conditions to the Relativistic Case....Pages 353-366
Relativistic and Non-Relativistic Many-Body Procedure, Applied to Atomic Systems....Pages 367-392
Front Matter....Pages 351-351
Relativistic Equations of Motion Method....Pages 393-410
Relativistic Many-Body Theory of Electric Dipole Moment of Atoms Due to Parity and Time Reversal Violation....Pages 411-416
Front Matter....Pages 417-417
Spinor Basis in Electron Correlation Studies....Pages 419-424
On the Unitary Group and Associated Operators....Pages 425-441
Front Matter....Pages 443-443
Hyperspherical Harmonics Methods for few- and Many-Body Problems....Pages 445-461
Large-N Expansions....Pages 463-481
Application of Catastrophe Theory to Molecules....Pages 483-500
Front Matter....Pages 501-501
Modern Developments in the Energy Density Functional Theory of Many-Electron Systems....Pages 503-521
Interconnections between Electron Densities in Position and Momentum Spaces....Pages 523-540
Aspects of Density Functional Approach to Many-Electron Systems....Pages 541-557
Back Matter....Pages 559-565

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This volume features invited lectures presented in the workshop-cum-symposium on aspects of many-body effects in molecules and extended systems, Calcutta, February 1 - 10, 1988. The organizers invited leading experts to present recent developments of many-body methods as applied to molecules and condensed systems. The panorama portrayed is quite broad, but by no means exhaustive. The emphasis is undoubtedly on a "molecular point of view".
Content:
Front Matter....Pages I-VIII
Front Matter....Pages 1-1
Separability Problem in General Many Electron Systems....Pages 3-33
Quantum Chemistry in Fock Space....Pages 35-67
Size Extensivity Correction for CI Energies Based on Complete Active Space Reference Functions....Pages 69-76
Front Matter....Pages 77-77
Dynamic Variational Principles and Extended Coupled Cluster Techniques....Pages 79-100
SAC-CI Calculations of the Excited and Ionized States of Conjugated Molecules....Pages 101-122
Atomic and Molecular Application of Effective Hamiltonian Formalism in Complete and Incomplete Model Spaces....Pages 123-142
Applications of Multi-Reference Coupled-Cluster Theory....Pages 143-153
Applications of the Open-Shell Coupled-Cluster Method....Pages 155-164
An Explicitly Connected Many-Body Perturbation Theory for Incomplete Model Space....Pages 165-183
Front Matter....Pages 185-185
Propagators for Molecular Electronic Spectra....Pages 187-206
Transition Moments in RPA-Like Approximations....Pages 207-222
Application of One Electron Propagator Method in the Treatment of Resonances....Pages 223-237
Front Matter....Pages 239-239
Quantum Fluid Dynamics: An Extended Coupled Cluster Treatment....Pages 241-260
Quasiparticles in Extended Systems — A Coupled-Cluster Approach....Pages 261-279
Electronic Structure and Spectra of Polyenes....Pages 281-300
Proton Transfer in Water and Ice: Solitonic Models for Structural Defects in the Hydrogen-Bonded Network....Pages 301-318
Front Matter....Pages 319-319
On the Development of Time Dependent Cluster Expansion Techniques for Molecular Dynamics....Pages 321-332
Electrochemical Electron Transfer: Accounting for Non-Adiabaticity Using a Bosonised Hamiltonian....Pages 333-350
Front Matter....Pages 351-351
Generalization of Kato’s Cusp Conditions to the Relativistic Case....Pages 353-366
Relativistic and Non-Relativistic Many-Body Procedure, Applied to Atomic Systems....Pages 367-392
Front Matter....Pages 351-351
Relativistic Equations of Motion Method....Pages 393-410
Relativistic Many-Body Theory of Electric Dipole Moment of Atoms Due to Parity and Time Reversal Violation....Pages 411-416
Front Matter....Pages 417-417
Spinor Basis in Electron Correlation Studies....Pages 419-424
On the Unitary Group and Associated Operators....Pages 425-441
Front Matter....Pages 443-443
Hyperspherical Harmonics Methods for few- and Many-Body Problems....Pages 445-461
Large-N Expansions....Pages 463-481
Application of Catastrophe Theory to Molecules....Pages 483-500
Front Matter....Pages 501-501
Modern Developments in the Energy Density Functional Theory of Many-Electron Systems....Pages 503-521
Interconnections between Electron Densities in Position and Momentum Spaces....Pages 523-540
Aspects of Density Functional Approach to Many-Electron Systems....Pages 541-557
Back Matter....Pages 559-565
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