https://npac2013.lal.in2p3.fr/2010-2011/Cours/Exam-IF/Altarelli-Parisi.pdf

Asymptotic Freedom in Parton Language

I. Introduction: Conceptual vs Fundamental andComputational Aspects of DFT1793II. Fundamental and Computational Aspects of DFT 1795A. The Basics of DFT: The Hohenberg−KohnTheorems1795B. DFT as a Tool for Calculating Atomic andMolecular Properties: The Kohn−ShamEquations1796C. Electronic Chemical Potential andElectronegativity: Bridging Computational andConceptual DFT1797III. DFT-Based Concepts and Principles 1798A. General Scheme: Nalewajski’s ChargeSensitivity Analysis1798B. Concepts and Their Calculation 18001. Electronegativity and the ElectronicChemical Potential18002. Global Hardness and Softness 18023. The Electronic Fukui Function, LocalSoftness, and Softness Kernel18074. Local Hardness and Hardness Kernel 18135. The Molecular Shape FunctionsSimilarity 18146. The Nuclear Fukui Function and ItsDerivatives18167. Spin-Polarized Generalizations 18198. Solvent Effects 18209. Time Evolution of Reactivity Indices 1821C. Principles 18221. Sanderson’s Electronegativity EqualizationPrinciple18222. Pearson’s Hard and Soft Acids andBases Principle18253. The Maximum Hardness Principle 1829IV. Applications 1833A. Atoms and Functional Groups 1833B. Molecular Properties 18381. Dipole Moment, Hardness, Softness, andRelated Properties18382. Conformation 18403. Aromaticity 1840C. Reactivity 18421. Introduction 18422. Comparison of Intramolecular ReactivitySequences18443. Comparison of Intermolecular ReactivitySequences18494. Excited States 1857D. Clusters and Catalysis 1858V. Conclusions 1860VI. Glossary of Most Important Symbols andAcronyms1860VII. Acknowledgments 1861VIII. Note Added in Proof 1862IX. References 1865

/pdf/conceptual-density-functional-theory-btz9wwrxv9.pdf

Conceptual density functional theory.

A scheme that reduces the calculations of ground-state properties of systems of interacting particles exactly to the solution of single-particle Hartree-type equations has obvious advantages. It is not surprising, then, that the density functional formalism, which provides a way of doing this, has received much attention in the past two decades. The quality of the energy surfaces calculated using a simple local-density approximation for exchange and correlation exceeds by far the original expectations. In this work, the authors survey the formalism and some of its applications (in particular to atoms and small molecules) and discuss the reasons for the successes and failures of the local-density approximation and some of its modifications.

The density functional formalism, its applications and prospects

We present a new hybrid meta exchange-correlation functional, called M05-2X, for thermochemistry, thermochemical kinetics, and noncovalent interactions. We also provide a full discussion of the new M05 functional, previously presented in a short communication. The M05 functional was parametrized including both metals and nonmetals, whereas M05-2X is a high-nonlocality functional with double the amount of nonlocal exchange (2X) that is parametrized only for nonmetals. In particular, M05 was parametrized against 35 data values, and M05-2X is parametrized against 34 data values. Both functionals, along with 28 other functionals, have been comparatively assessed against 234 data values:  the MGAE109/3 main-group atomization energy database, the IP13/3 ionization potential database, the EA13/3 electron affinity database, the HTBH38/4 database of barrier height for hydrogen-transfer reactions, five noncovalent databases, two databases involving metal−metal and metal−ligand bond energies, a dipole moment databas...

/pdf/design-of-density-functionals-by-combining-the-method-of-3dsa6vb61i.pdf

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions.

The task of quantizing general relativity raises serious questions about the meaning of the present formulation and interpretation of quantum mechanics when applied to so fundamental a structure as the space-time geometry itself. This paper seeks to clarify the foundations of quantum mechanics. It presents a reformulation of quantum theory in a form believed suitable for application to general relativity. The aim is not to deny or contradict the conventional formulation of quantum theory, which has demonstrated its usefulness in an overwhelming variety of problems, but rather to supply a new, more general and complete formulation, from which the conventional interpretation can be deduced. The relationship of this new formulation to the older formulation is therefore that of a metatheory to a theory, that is, it is an underlying theory in which the nature and consistency, as well as the realm of applicability, of the older theory can be investigated and clarified.

"relative State" Formulation of Quantum Mechanics

Zur Theorie der Kernmassen

Die Ausstrahlung wird in dem Koordinatensystem berechnet, in dem das stosende Elektron anfangs ruht. Das Coulombfeld des „vorbeifliegenden“ gestosenen Atomkerns last sich dann als Strahlungsfeld auffassen; die Ausstrahlung ist Streuung dieser „Strahlung“ nach der Klein-Nishina-Formel. Das Resultat ist innerhalb der verwendeten Naherung mit dem fruherer Rechnungen identisch. Seine Herleitung und die Voraussetzungen fur seine Gultigkeit werden anschaulich diskutiert.

Ausstrahlung bei Stößen sehr schneller Elektronen

Ein von isotroper Turbulenz erfulltes Volumen der Kantenlange L0 wird durch Intervallschachtelung in sukzessive Teilvolumina der Kantenlange Ln eingeteilt. Die Mittelwerte der physikalischen Grosen uber die Teilvolumina werden betrachtet. Die Bedingung des Gleichgewichts der Energiedissipation fuhrt zu folgendem Gesetz: Der Mittelwert des Betrages der Relativgeschwindigkeit eines Punktes gegen seine um Ln entfernten Nachbarpunkte ist proportional zu Ln1/3. Der turbulente Austausch uber die Strecke Ln ist dann proportional zu Ln4/3, im Einklang mit der Erfahrung. Als Spektralgesetz der Fourieranalyse des Stromungsverlaufes bedeutet dies, das die EnergieF (k) dk, welche zwischen den Wellenzahlenk undk +dk liegt, zu k−
 
$${\raise0.5ex\hbox{$\scriptstyle 5$}\kern-0.1em/\kern-0.15em\lower0.25ex\hbox{$\scriptstyle 3$}}$$

 proportional ist.

Das Spektrum der Turbulenz bei großen Reynoldsschen Zahlen

Zum Weltbild der Physik

Preface by the Editors Preface 1985 On Weizsacker's Philosophy of Physics (by H. Lyre) Chapter 1: Introduction. 1.1. The Question. 1.2. Outline Part I: The Unity of Physics Chapter 2: The System of theories. 2.1. Preliminary. 2.2. Classical point mechanics. 2.3. Mathematical forms of the Laws of Nature. 2.4. Chemistry. 2.5. Thermodynamics. 2.6. Field theories. 2.7. Non-Euclidan geometry and semantical consistency. 2.8. The relativity problem. 2.9. Special theory of relativity. 2.10. General theory of relativity. 2.11. Quantum theory, historical. 2.12. Quantum theory, plan of reconstruction. Chapter 3: Probability and abstract quantum theory. 3.1. Probability and experience. 3.2. The classical concept of probability. 3.3. Empirical determination of probabilities. 3.4. Second quantization. 3.5. Methodical: reconstruction of abstract quantum theory. 3.6. Reconstruction via probabilities and the lattice of propositions. Chapter 4: Quantum theory and space-time. 4.1. Concrete quantum theory. 4.2. Reconstruction of quantum theory via variable alternatives. 4.3. Space and time. Chapter 5: Models of particles and interaction. 5.1. Open questions. 5.2. Representations in tensor space. 5.3. Quasi-particles in rigid coordinate spaces. 5.4. Model of quantum electrodynamics. 5.5. Elementary particles. 5.6. General theory of relativity. Chapter 6: Cosmology and particle physics (by Th. Gornitz). 6.1. Quantum theory of abstract binary alternatives and cosmology. 6.2. Ur-theoretical vacuum and particle states. 6.4. Outlook. Part II: Time and Information Chapter 7: Irreversibility and entropy. 7.1. Irreversibility as problem. 7.2. A model of irreversible processes. 7.3. Documents. 7.4. Cosmology and the theory of relativity. Chapter 8: Information and evolution. 8.1. The systematic place of the chapter. 8.2. What is information? 8.3. What is evolution? 8.4. Information and probability. 8.5. Evolution as growth of potential information. 8.6. Pragmaticinformation: novelty and confirmation. 8.7. Biological preliminaries to logic. Part III: On the Interpretation of Physics Chapter 9: The problem of the interpretation of quantum theory. 9.1. About the history of the interpretation. 9.2. The semantical consistency of quantum theory. 9.3. Paradoxa and alternatives. Chapter 10: The stream of information. 10.1. The quest for substance. 10.2. The stream of information in quantum theory. 10.3. Mind and form. Chapter 11: Beyond quantum theory. 11.1. Crossing the frontier. 11.2. Facticity of the future. 11.3. Possibility of the past. 11.4. Comprehensive present. 11.5. Beyond physics. Chapter 12: In the language of philosophers. 12.1. Exposition. 12.2. Philosophy of science. 12.3. Physics. 12.4. Metaphysics. References Index

Carl Friedrich von Weizsäcker

Papers

Zur Theorie der Kernmassen

Ausstrahlung bei Stößen sehr schneller Elektronen

Das Spektrum der Turbulenz bei großen Reynoldsschen Zahlen

Zum Weltbild der Physik

The structure of physics