Subject (ZB): “...Quantum chemistry-Computer programs....”

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Subject (ZB): “...Quantum chemistry....”

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Subject (ZB): “...Quantum chemistry....”

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Table of Contents: “...Part I: Introduction -- 1. Quantum Science: Interdisciplinary Research Between Chemistry and Physics -- Part II: Quantum Electronic Structure -- 2. Chracteristic Fermi Surface Properties in f-electron Systems -- 3. Quantum Chemistry in Battery Materials...”

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Table of Contents: “...Part 1: Exotic Atomic Systems -- Chapter 1. Advanced Relativistic Energy Approach in the Spectroscopy of Auto-ionization States of Multi-electron Atomic Systems (Alexander V. Glushkov ) -- Chapter 2. Relativistic Quantum Chemistry and Spectroscopy...”

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Table of Contents: “...Introduction to Material Modeling -- Kernel Methods for Quantum Chemistry -- Introduction to Neural Networks -- Building nonparametric n-body force fields using Gaussian process regression -- Machine-learning of atomic-scale properties based on physical...”

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Subject (ZB): “...quantum chemistry...”

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Table of Contents: “...From the Contents: Introduction to Relativistic Quantum Chemistry -- Introduction to Quantum Electrodynamics -- Relativistic Hamiltonians -- Relativistic Wave Functions -- Relativistic Quantum Chemical Methods -- Applications of Relativistic Quantum...”

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Table of Contents: “... to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry -- Method of Moments of Coupled Cluster Equations Employing Multi-Reference Perturbation Theory Wavefunctions: General Formalism, Diagrammatic Formulation, Implementation, and Benchmark Studies...”

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Table of Contents: “... and Symmetry Operations. A Systematic Approach -- 7 The Multi-Electron Problem in Molecular Physics and Quantum Chemistry -- 8 Overview of Molecular Spectroscopy Techniques -- 9 Rotational Spectroscopy -- 10 Vibrational Spectroscopy -- 11 The Quantum-Mechanical...”

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Table of Contents: “...1. Fundamentals of Group Theory -- 2. Postulates of Quantum Mechanics -- 3. Playing with the Schrödinger Equation -- 4. Quantum Chemistry: A Hierarchy of Approximations -- 5. Methods of Solution -- 6. The Hartree-Fock Method and Its Consequences -- 7...”

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