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PTCP Aim and Scope; Progress in Theoretical Chemistry and Physics; Aim and Scope; Preface; Contents; Obituary; Obituary; Obituary; Obituary; Presenting the Hosts' Radioisotopes Production Laboratory at the Institute for Nuclear Research and Nuclear Energy; Quantum Methodology; Towards the Inclusion of Dissipative Effects in Quantum Time-Dependent Mean-Field Theories; 1 Introduction; 2 From Mean-Field to Semi-Classical Kinetic Equations; 2.1 The Mean Field as a Starter; 2.2 The VUU Approach; 3 A Quantum Relaxation Time Ansatz; 4 Stochastic Time-Dependent Hartree Fock (STDHF).
4.1 Standard Stochastic TDHF4.2 From STDHF to Extended TDHF; 5 Conclusions; References; 2 On the Ordering of Orbital Energies in the ROHF Method: Koopmans' Theorem versus Aufbau Principle; Abstract; 1 Introduction; 2 Theory; 2.1 Total One-Electron Hamiltonian in the ROHF Method; 2.2 High-Spin Half-Filled Open-Shell (HSHFOS) Systems; 2.3 Koopmans' Theorem in the Closed-Shell HF and ROHF Methods; 2.4 CI-Based Formulation of Koopmans' Theorem in the ROHF Method; 3 Violations of the Aufbau Principle; 3.1 Atom N and Endofullerene {{\bf N\commerat C}}_{{{{\bf 60}}}} (I_{h}); 3.2 Atom Mn.
3.3 DiscussionAcknowledgements; References; 3 Spin Effects in sp2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory; Abstract; 1 Introduction; 2 About Open-Shell Molecules in General; 3 Reality of sp2 OSMs UHF Peculiarities; 4 What Is the Origin of the sp2 OSMs UHF Peculiarities?; 5 Empirical Evidences of the Similarity of the SOC and UHF Peculiarities of the sp2 OSMs; 5.1 General Characteristics of Spin-Orbit Coupling in Molecules; 5.2 UHF Peculiarities of sp2 OSMs and a Comparative View; 5.3 Para- and Ferro-Diamagnetism of sp2 OSMs.
6 A Glance at Similarity of SOC and UHF Peculiarities7 UHF SOC Parameters of sp2 Nanocarbons; 7.1 A Confine Collection of Necessary Relations. Parameters' Formalism; 7.2 UHF-Based Determination of \Delta E_{spl}^{SO} and a^{SO} SOC Parameters; 8 Conclusion; Acknowledgements; References; Population Analyses Based on Ionic Partition of Overlap Distributions; 1 Introduction; 2 IPOD Population Analyses; 3 Computational Details; 4 Results and Discussions; 5 Conclusions; References; Topological Quantum Computation with Non-Abelian Anyons in Fractional Quantum Hall States.
1 Introduction: Quantum Computation in General2 Non-Abelian Anyons and Topological QC; 2.1 Construction of n-Particle States: The Braid Group; 2.2 Fusion Paths: Labeling Anyonic States of Matter; 2.3 Braiding of Anyons: Topologically Protected Quantum Gates; 3 The Pfaffian Quantum Hall State and TQC with Ising Anyons; 3.1 TQC Scheme with Ising Anyons: Single Qubit Construction; 3.2 Single-Qubit Gates: The Pauli X Gate; 3.3 The Hadamard Gate; 3.4 Two-Qubits Construction; 3.5 Two-Qubit Gates: The Controlled-NOT Gate; 4 Coulomb-Blockaded Quantum Hall Islands: QD and SET.
4.1 Coulomb Island's Conductance
CFT Approach.
4.1 Standard Stochastic TDHF4.2 From STDHF to Extended TDHF; 5 Conclusions; References; 2 On the Ordering of Orbital Energies in the ROHF Method: Koopmans' Theorem versus Aufbau Principle; Abstract; 1 Introduction; 2 Theory; 2.1 Total One-Electron Hamiltonian in the ROHF Method; 2.2 High-Spin Half-Filled Open-Shell (HSHFOS) Systems; 2.3 Koopmans' Theorem in the Closed-Shell HF and ROHF Methods; 2.4 CI-Based Formulation of Koopmans' Theorem in the ROHF Method; 3 Violations of the Aufbau Principle; 3.1 Atom N and Endofullerene {{\bf N\commerat C}}_{{{{\bf 60}}}} (I_{h}); 3.2 Atom Mn.
3.3 DiscussionAcknowledgements; References; 3 Spin Effects in sp2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory; Abstract; 1 Introduction; 2 About Open-Shell Molecules in General; 3 Reality of sp2 OSMs UHF Peculiarities; 4 What Is the Origin of the sp2 OSMs UHF Peculiarities?; 5 Empirical Evidences of the Similarity of the SOC and UHF Peculiarities of the sp2 OSMs; 5.1 General Characteristics of Spin-Orbit Coupling in Molecules; 5.2 UHF Peculiarities of sp2 OSMs and a Comparative View; 5.3 Para- and Ferro-Diamagnetism of sp2 OSMs.
6 A Glance at Similarity of SOC and UHF Peculiarities7 UHF SOC Parameters of sp2 Nanocarbons; 7.1 A Confine Collection of Necessary Relations. Parameters' Formalism; 7.2 UHF-Based Determination of \Delta E_{spl}^{SO} and a^{SO} SOC Parameters; 8 Conclusion; Acknowledgements; References; Population Analyses Based on Ionic Partition of Overlap Distributions; 1 Introduction; 2 IPOD Population Analyses; 3 Computational Details; 4 Results and Discussions; 5 Conclusions; References; Topological Quantum Computation with Non-Abelian Anyons in Fractional Quantum Hall States.
1 Introduction: Quantum Computation in General2 Non-Abelian Anyons and Topological QC; 2.1 Construction of n-Particle States: The Braid Group; 2.2 Fusion Paths: Labeling Anyonic States of Matter; 2.3 Braiding of Anyons: Topologically Protected Quantum Gates; 3 The Pfaffian Quantum Hall State and TQC with Ising Anyons; 3.1 TQC Scheme with Ising Anyons: Single Qubit Construction; 3.2 Single-Qubit Gates: The Pauli X Gate; 3.3 The Hadamard Gate; 3.4 Two-Qubits Construction; 3.5 Two-Qubit Gates: The Controlled-NOT Gate; 4 Coulomb-Blockaded Quantum Hall Islands: QD and SET.
4.1 Coulomb Island's Conductance
CFT Approach.