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000807174 24500 $$aQuantum systems in physics, chemistry, and biology :$$badvances in concepts and applications /$$cAlia Tadjer, Rossen Pavlov, Jean Maruani, Erkki J. Brändas, Gerardo Delgado-Barrio, editors.
000807174 264_1 $$aCham, Switzerland :$$bSpringer,$$c[2017]
000807174 300__ $$a1 online resource (449 pages) :$$billustrations.
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000807174 4901_ $$aProgress in theoretical chemistry and physics ;$$vvolume 30
000807174 504__ $$aIncludes bibliographical references and indexes.
000807174 5050_ $$aPTCP 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).
000807174 5058_ $$a4.1 Standard Stochastic TDHF4.2 From STDHF to Extended TDHF; 5 Conclusions; References; 2 On the Ordering of Orbital Energies in the ROHF Method: Koopmans' Theorem versus Aufbau Principle; Abstract; 1 Introduction; 2 Theory; 2.1 Total One-Electron Hamiltonian in the ROHF Method; 2.2 High-Spin Half-Filled Open-Shell (HSHFOS) Systems; 2.3 Koopmans' Theorem in the Closed-Shell HF and ROHF Methods; 2.4 CI-Based Formulation of Koopmans' Theorem in the ROHF Method; 3 Violations of the Aufbau Principle; 3.1 Atom N and Endofullerene {{\bf N\commerat C}}_{{{{\bf 60}}}} (I_{h}); 3.2 Atom Mn.
000807174 5058_ $$a3.3 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.
000807174 5058_ $$a6 A Glance at Similarity of SOC and UHF Peculiarities7 UHF SOC Parameters of sp2 Nanocarbons; 7.1 A Confine Collection of Necessary Relations. Parameters' Formalism; 7.2 UHF-Based Determination of \Delta E_{spl}^{SO} and a^{SO} SOC Parameters; 8 Conclusion; Acknowledgements; References; Population Analyses Based on Ionic Partition of Overlap Distributions; 1 Introduction; 2 IPOD Population Analyses; 3 Computational Details; 4 Results and Discussions; 5 Conclusions; References; Topological Quantum Computation with Non-Abelian Anyons in Fractional Quantum Hall States.
000807174 5058_ $$a1 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.
000807174 5058_ $$a4.1 Coulomb Island's Conductance -- CFT Approach.
000807174 506__ $$aAccess limited to authorized users.
000807174 520__ $$aThis book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology. In particular, it discusses atomic and molecular structure, dynamics and spectroscopy as well as applications of quantum theory to biological and condensed matter systems. The volume contains twenty-four selected, peer-reviewed contributions based on the presentations given at the Twentieth International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XX), held in Varna, Bulgaria, in September 2015. It is divided into five sections containing the most relevant papers written by leading experts in the fields. This book will appeal to advanced graduate students, researchers, and academics involved in theoretical, quantum or statistical and computational chemical physics and physical chemistry.
000807174 588__ $$aVendor-supplied metadata.
000807174 650_0 $$aQuantum theory.
000807174 650_0 $$aQuantum systems.
000807174 7001_ $$aTadjer, Alia,$$eeditors.
000807174 7001_ $$aPavlov, Rossen,$$eeditor.
000807174 7001_ $$aMaruani, Jean,$$d1937-$$eeditor.
000807174 7001_ $$aBrändas, Erkki,$$eeditor.
000807174 7001_ $$aDelgado-Barrio, G.$$q(Gerardo),$$eeditor.
000807174 77608 $$iPrint version:$$tQuantum systems in physics, chemistry, and biology.$$dCham, Switzerland : Springer, [2017]$$z3319502549$$z9783319502540$$w(OCoLC)962005774
000807174 830_0 $$aProgress in theoretical chemistry and physics ;$$vv. 30.
000807174 852__ $$bebk
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