(Ebook) Löwdin Volume 1st Edition by John Sabin, Erkki Brändas ISBN 9780128104002 0128104002

(Ebook) Löwdin Volume 1st Edition by John Sabin, Erkki Brändas ISBN 9780128104002 0128104002

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ISBN 10:   0128104002 

ISBN 13: 9780128104002

Author: John R. Sabin, Erkki J. Brändas

Advances in Quantum Chemistry: Lowdin Volume presents a series of articles exploring aspects of the application of quantum mechanics to atoms, molecules, and solids.

Table of contents: 

Chapter One: Per-Olov Löwdin

• Acknowledgments

Chapter Two: From Numerical Orbitals to Analytical Ones and Back

• Abstract

• Introduction

• Exponentials

• General Bases on One-Dimensional Domains

• Momentum Space Representations

• Mixed Representations

• Four-Component Spinorbitals

• Epitome

Chapter Three: The Time-Dependent Variational Principle in Quantum Mechanics and Its Application

• Abstract

• Basic Equations

• Coherent States

Chapter Four: Specifics on the Scientific Legacy of Per-Olov Löwdin

• Abstract

• Introduction

• At the Early QTP

• Projection Operators

• Fast-Converging CI Expansions

• Nearing Full CI with Truncation Energy Errors

• Unambiguous Dirac-Type Calculations

• Final Remarks

• Acknowledgments

Chapter Five: Time-Dependent Perturbation Theory with Application to Atomic Systems

• Abstract

• Introduction

• Standard Time-Independent Perturbation Theory

• Relativistic and QED Effects

• Time-Dependent Perturbation Theory

• QED and Electron Correlation

• Concluding Remarks

• Acknowledgments

Chapter Six: Quantum Partitioning Methods for Few-Atom and Many-Atom Dynamics

• Abstract

• Introduction

• Molecular Effective Potentials and Long-Lived States from Partitioning Methods

• Dissipative Many-Atom Dynamics from Partitioning Methods

• Conclusions

• Acknowledgments

Chapter Seven: Vibrational Quantum Squeezing Induced by Inelastic Collisions

• Abstract

• Introduction

• Algebraic Form of the Landau–Teller Model

• Squeezing Coherent States

• Squeezing from an Initial Thermal Distribution

• Discussion

• Acknowledgments

Chapter Eight: Resonances in the Continuum, Field-Induced Nonstationary States, and the State- and Property-Specific Treatment of the Many-Electron Problem

• Preface

• Quantum Chemistry and Many-Electron Problems in the High-Lying Portions of the “Excitation Axis”

• Topics

• State- and Property-Specific Quantum Chemistry

• Backgrounds

• Overview and Elements of the SPS Theory on Topics I, II, and III

• Epilogue

• Acknowledgments

Chapter Nine: High-Temperature Superconductivity in Strongly Correlated Electronic Systems

• Abstract

• Per Olov Löwdin

• Introduction to Superconductivity

• The Pairing Instability in Classical and High-Temperature Superconductors

• ODLRO in Superconductors

• The Bohm–Pines Hamiltonian

• Total Hamiltonian

• Choice of Localized Basis Functions and Summary of Group Theoretical Analysis of Cuprate Superconductor Real-Space Condensate Wave Function

• The Superconducting Ground State

• Condensate Wave Functions

• Role of Electron Correlation

Chapter Ten: Quantum Chemistry and Superconductors

• Abstract

• Introduction

• Coupling and Localization

• The Hubbard Gap and the Absorption Spectrum of Transition Metal Oxides

• Wave Functions and Conductivity in the Local State

• Organic SC

• Tungsten and Molybdenum Bronzes

• Conclusion

• Acknowledgments

Chapter Eleven: State-Quantum-Chemistry Set in a Photonic Framework

• Abstract

• Photon q-States: Fock Space

• Basic Photonic Scheme

• Abstract and Laboratory Spaces: Linking/Relating Systems

• Quantum Physics of Tonomura Double-Slit Experiment

• One-Photon Initiated Quantum Physical Processes

• Probe Through X-Ray and Higher Frequency Photon States

• Chemistry from a Photonic Quantum Physical Perspective

• Information Transfers

• Discussion

• Acknowledgments

Chapter Twelve: Quantum Chemistry with Thermodynamic Condition – A Journey into the Supercritical Region and Approaching the Critical Point

• Abstract

• Introduction

• Short Review of Some Molecular Studies in the Supercritical Region

• Supercritical Ar and the Vicinities of the Critical Point

• Summary and Conclusions

• Acknowledgments

Chapter Thirteen: Electron Propagator Theory – Foundations and Predictions

• Abstract

• Introduction

• Poles and Residues of the Electron Propagator

• Derivation of the Dyson Quasiparticle Equation

• Approximations in the Dyson Quasiparticle Equation

• Test Calculations

• Recent Applications and Extensions

• Conclusions and Prospects

Chapter Fourteen: Cognition of Learning and Memory – What Have Löwdin's Orthogonalizations Got to Do With That?

• Abstract

• Introduction

• Recapitulation of Orthogonalization Schemes

• Numerical Demonstration

• A Model for Neuronal Network

• Adaptation to Cognitive Memory

• In Sum

• Acknowledgment

Chapter Fifteen: Ab Initio Complex Potential Energy Surfaces from Standard Quantum Chemistry Packages

• Abstract

• Motivation and Difficulties in Calculating CPES

• Ab Initio CPES by Using Existing and Modified SQCPs — A Brief Overview

• CPES from SQCPs — Recent Developments

• Concluding Remarks

• Acknowledgments

Chapter Sixteen: High-Resolution Quantum-Mechanical Signal Processing for In Vivo NMR Spectroscopy

• Abstract

• Introduction

• Methods

• Results

• Discussion and Conclusions

• Acknowledgments

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