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Artykuły w czasopismach na temat "Many-Body formalisms"

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Faber, C., P. Boulanger, C. Attaccalite, I. Duchemin, and X. Blase. "Excited states properties of organic molecules: from density functional theory to the GW and Bethe–Salpeter Green's function formalisms." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 372, no. 2011 (2014): 20130271. http://dx.doi.org/10.1098/rsta.2013.0271.

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Many-body Green's function perturbation theories, such as the GW and Bethe–Salpeter formalisms, are starting to be routinely applied to study charged and neutral electronic excitations in molecular organic systems relevant to applications in photovoltaics, photochemistry or biology. In parallel, density functional theory and its time-dependent extensions significantly progressed along the line of range-separated hybrid functionals within the generalized Kohn–Sham formalism designed to provide correct excitation energies. We give an overview and compare these approaches with examples drawn from
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AL-SUGHEIR, M. K., H. B. GHASSIB, and B. R. JOUDEH. "FERMI PAIRING IN DILUTE 3He-HeII MIXTURES." International Journal of Modern Physics B 20, no. 18 (2006): 2491–504. http://dx.doi.org/10.1142/s0217979206034844.

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In this paper the Galitskii–Migdal–Feynman (GMF) formalism is applied to dilute 3He-HeII mixtures. In particular, the effect of the hole-hole scattering on pairing in these systems is investigated. To this end, the relative phase shifts incorporating many-body effects based on both Brueckner–Bethe–Goldstone (BBG) and GMF formalisms are calculated. In the GMF formalism, the S-wave phase shift at zero relative momentum is –π and has a cusp at the Fermi momentum; while in the BBG formalism, this phase shift has zero values up to the Fermi momentum. From these results we conclude that hole-hole sc
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Evangelista, Francesco A. "Automatic derivation of many-body theories based on general Fermi vacua." Journal of Chemical Physics 157, no. 6 (2022): 064111. http://dx.doi.org/10.1063/5.0097858.

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This paper describes Wick&d, an implementation of the algebra of second-quantized operators normal ordered with respect to general correlated references and the corresponding Wick theorem [D. Mukherjee, Chem. Phys. Lett. 274, 561 (1997) and W. Kutzelnigg and D. Mukherjee, J. Chem. Phys. 107, 432 (1997)]. Wick&d employs a compact representation of operators and a backtracking algorithm to efficiently evaluate Wick contractions. Since Wick&d can handle both fully and partially contracted terms, it can be applied to both projective and Fock-space many-body formalisms. To demonstrate t
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HU, BEN YU-KUANG. "MANY-BODY EFFECTS IN FRICTIONAL DRAG BETWEEN COUPLED TWO-DIMENSIONAL ELECTRON SYSTEMS." International Journal of Modern Physics B 13, no. 05n06 (1999): 469–78. http://dx.doi.org/10.1142/s0217979299000369.

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Independently contacted coupled quantum wells separated by barriers which allow significant interlayer interactions but no tunneling have been fabricated. When current is passed through one layer, the interlayer interactions drag carriers in the second layer, resulting in a voltage response (for open circuits). The magnitude of the response gives a quantitative measure of the effective interlayer interactions and response functions of the system, and hence this is an excellent laboratory for the study of many-body phenomena in two-dimensional electron gases. We review the Boltzmann and Kubo fo
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Lindgren, I., S. Salomonson, and D. Hedendahl. "Many-body-QED perturbation theory: Connection to the two-electron Bethe–Salpeter equation." Canadian Journal of Physics 83, no. 3 (2005): 183–218. http://dx.doi.org/10.1139/p05-027.

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The connection between many-body perturbation theory (MBPT) and quantum electrodynamics (QED) is reviewed for systems of two fermions in an external field. The treatment is mainly based on the recently developed covariant-evolution-operator method for QED calculations (I. Lindgren, S. Salomonson, and B. Åsén. Phys. Rep. 389, 161 (2004)), which is quite similar in structure to MBPT. At the same time, this procedure is closely related to the S-matrix and Green's-function formalisms and can therefore serve as a bridge connecting various approaches. It is demonstrated that the MBPT–QED scheme, whe
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Chaudhuri, Rajat, Dhiman Sinha, and Debashis Mukherjee. "On the extensivity of the roots of effective Hamiltonians in many-body formalisms employing incomplete model spaces." Chemical Physics Letters 163, no. 2-3 (1989): 165–70. http://dx.doi.org/10.1016/0009-2614(89)80029-6.

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Bauman, Nicholas P., Eric J. Bylaska, Sriram Krishnamoorthy, et al. "Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms." Journal of Chemical Physics 151, no. 1 (2019): 014107. http://dx.doi.org/10.1063/1.5094643.

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Alastuey, A. "Statistical Mechanics of Quantum Plasmas Path Integral Formalism." International Astronomical Union Colloquium 147 (1994): 43–77. http://dx.doi.org/10.1017/s0252921100026312.

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AbstractIn this review, we consider a quantum Coulomb fluid made of charged point particles (typically electrons and nuclei). We describe various formalisms which start from the first principles of statistical mechanics. These methods allow systematic calculations of the equilibrium quantities in some particular limits. The effective-potential method is evocated first, as well as its application to the derivation of low-density expansions. We also sketch the basic outlines of the standard many-body perturbation theory. This approach is well suited for calculating expansions at high density (fo
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Villani, Matteo, and Xavier Oriols. "Can Wigner distribution functions with collisions satisfy complete positivity and energy conservation?" Journal of Computational Electronics 20, no. 6 (2021): 2232–44. http://dx.doi.org/10.1007/s10825-021-01798-1.

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AbstractTo avoid the computational burden of many-body quantum simulation, the interaction of an electron with a photon (phonon) is typically accounted for by disregarding the explicit simulation of the photon (phonon) degree of freedom and just modeling its effect on the electron dynamics. For quantum models developed from the (reduced) density matrix or its Wigner–Weyl transformation, the modeling of collisions may violate complete positivity (precluding the typical probabilistic interpretation). In this paper, we show that such quantum transport models can also strongly violate the energy c
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Baer, Roi, and Daniel Neuhauser. "Many-body scattering formalism of quantum molecular conductance." Chemical Physics Letters 374, no. 5-6 (2003): 459–63. http://dx.doi.org/10.1016/s0009-2614(03)00709-7.

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Rozprawy doktorskie na temat "Many-Body formalisms"

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Amblard, David. "Formalisme à N-corps GW environné dans une approche fragment : développements et applications à des systèmes complexes." Electronic Thesis or Diss., Université Grenoble Alpes, 2024. http://www.theses.fr/2024GRALY028.

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Le formalisme GW, dans le cadre des théories de perturbation à N-corps utilisant les fonctions de Green, gagne en popularité pour la description des propriétés électroniques des systèmes de la matière condensée en physique du solide, et plus récemment en chimie. Son application à des systèmes complexes d'intérêt en nanoscience, chimie, voire biologie, est freinée cependant par son coût numérique en particulier dans le cas de systèmes désordonnés, ou immergés dans un environnement ouvert (un solvant, un milieu moléculaire, une électrode, etc.) Le but de cette thèse est de développer des techniq
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Hickel, Tilmann. "Theory of many-body effects in the Kondo-lattice model." Doctoral thesis, Humboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2006. http://dx.doi.org/10.18452/15500.

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Das magnetische Verhalten zahlreicher Materialien lässt sich auf eine indirekte Wechselwirkung lokalisierter magnetischer Momente, vermittelt durch die Elektronen eines Leitungsbandes, zurückführen. Das Kondo-Gitter-Modell hat sich als elegante Möglichkeit bewährt, diesen Prozess quantenmechanisch zu beschreiben. Es reduziert die Physik auf eine intraatomare Wechselwirkung der Spins von lokalisierten und itineranten Elektronen. Die vorliegende Arbeit ist den analytischen Eigenschaften dieses Modells gewidmet. Die besondere Herausforderung des Kondo-Gitter-Modells besteht dabei im Zus
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Morinière, Maxime. "Formalismes et méthodes pour le calcul de la réponse linéaire des systèmes isolés." Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAY096/document.

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La réponse linéaire de la théorie de la fonctionnelle de la densité dépendante du temps est étudiée dans le cadre du formalisme d'ondelettes du code BigDFT, qui permet d'exprimer les fonctions d'onde électroniques sur une grille de simulation dans l'espace réel. L'objectif est de déterminer un spectre d'excitations de référence pour un système et un potentiel d'échange-corrélation donnés.Il apparaît que seule une partie du spectre, concernant les transitions entre orbitales liées, peut être facilement amenée à convergence par rapport aux paramètres d'entrée de BigDFT, que sont l'extension de l
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Hafver, Andreas. "The formalism of non-commutative quantum mechanics and its extension to many-particle systems." Thesis, Stellenbosch : University of Stellenbosch, 2010. http://hdl.handle.net/10019.1/5255.

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Thesis (MSc (Physics))--University of Stellenbosch, 2010.<br>ENGLISH ABSTRACT: Non-commutative quantum mechanics is a generalisation of quantum mechanics which incorporates the notion of a fundamental shortest length scale by introducing non-commuting position coordinates. Various theories of quantum gravity indicate the existence of such a shortest length scale in nature. It has furthermore been realised that certain condensed matter systems allow effective descriptions in terms of non-commuting coordinates. As a result, non-commutative quantum mechanics has received increasing attention
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Lasseri, Raphaël-David. "Distribution spatiale de fermions fortement corrélés en interaction forte : formalisme, méthodes et phénoménologie en structure nucléaire." Thesis, Université Paris-Saclay (ComUE), 2018. http://www.theses.fr/2018SACLS248/document.

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Le noyau est par essence un système complexe, composé de fermions composites fortement corrélés, soumis à la fois aux interactions forte, faible et électromagnétique. La description de sa structure interne est un enjeu important de la physique moderne. Ainsi la manière qu'ont les nucléons de s'organiser au sein des noyaux atomiques est le reflet des corrélations auxquelles ils sont soumis. On comprend alors que la complexité des interactions inter-nucléoniques se traduit par une grande richesse de schémas selon lesquels les nucléons se distribuent dans les systèmes nucléaires. Le noyau révèle
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Faber, Carina. "Electrons, excitons et polarons dans les systèmes organiques : approches ab initio à N-corps de type GW et Bethe-Salpeter pour le photovoltaïque organique." Thesis, Grenoble, 2014. http://www.theses.fr/2014GRENY047/document.

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Cette thèse se propose d'explorer les mérites d'une famille d'approches de simulation quantique ab initio, les théories de perturbation à N-corps, pour l'exploration des propriétés électroniques et optiques de systèmes organiques. Nous avons étudié en particulier l'approximation dite de GW et l'équation de Bethe-Salpeter, très largement utilisées dès les années soixante pour les semiconducteurs de volume, mais dont l'utilisation pour les systèmes organiques moléculaires est très limitée. L'étude de quelques cas d'intérêt pour le photovoltaïque organique, et en particulier de petites molécules
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Verrière, Marc. "Description de la dynamique de la fission dans le formalisme de la méthode de la coordonnée génératrice dépendante du temps." Thesis, Université Paris-Saclay (ComUE), 2017. http://www.theses.fr/2017SACLS113/document.

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La fission induite par neutron, découverte il y a plus de 70 ans, a de nombreuses applications, par exemple industrielles pour la production d'énergie, et intervient dans la nucléosynthèse. Cependant, sa description microscopique reste un problème ouvert. En effet, les degrés de liberté qui interviennent dans ce processus dynamique sont complexes. De plus, les noyaux fissiles ont un nombre élevé de nucléons en interaction (&gt;200). Il s'agit donc d'un problème à N-corps quantique. Or, une résolution directe de ce dernier n'est pas possible à l'heure actuelle. Dans ce contexte, la description
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Książki na temat "Many-Body formalisms"

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Boudreau, Joseph F., and Eric S. Swanson. Quantum mechanics II–many body systems. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198708636.003.0023.

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Chapter 23 develops formalism relevant to atomic and molecular electronic structure. A review of the product Ansatz, the Slater determinant, and atomic configurations is followed by applications to small atoms. Then the self-consistent Hartree-Fock method is introduced and applied to larger atoms. Molecular structure is addressed by introducing an adiabatic separation of scales and the construction of molecular orbitals. The use of specialized bases for molecular computations is also discussed. Density functional theory and its application to complicated molecules is introduced and the local d
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Morawetz, Klaus. Variational Techniques of Many-Body Theory. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198797241.003.0011.

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The variational technique for nonequilibrium Green’s functions is derived resulting in the Hedin equations. This allows exploring of the high-density limit of diagrammatic expansions. Nonequilibrium Ward identities are presented. An asymmetric cummulant expansion of many-body Greens functions is developed resulting in asymmetric internal propagators which will become important for a consistent theory of pairing and condensation. All known approximations for the selfenergy are derived and reviewed with respect to asymmetric corrected propagators. The linear response formalism is discussed and t
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Succi, Sauro. QLB for Quantum Many-Body and Quantum Field Theory. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780199592357.003.0033.

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Chapter 32 expounded the basic theory of quantum LB for the case of relativistic and non-relativistic wavefunctions, namely single-particle quantum mechanics. This chapter goes on to cover extensions of the quantum LB formalism to the overly challenging arena of quantum many-body problems and quantum field theory, along with an appraisal of prospective quantum computing implementations. Solving the single particle Schrodinger, or Dirac, equation in three dimensions is a computationally demanding task. This task, however, pales in front of the ordeal of solving the Schrodinger equation for the
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Thygesen, K. S., and A. Rubio. Correlated electron transport in molecular junctions. Edited by A. V. Narlikar and Y. Y. Fu. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533046.013.23.

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This article focuses on correlated electron transport in molecular junctions. More specifically, it considers how electronic correlation effects can be included in transport calculations using many-body perturbation theory within the Keldysh non-equilibrium Green’s function formalism. The article uses the GW self-energy method (G denotes the Green’s function and W is the screened interaction) which has been successfully applied to describe quasi-particle excitations in periodic solids. It begins by formulating the quantum-transport problem and introducing the non-equilibrium Green’s function f
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Morawetz, Klaus. Interacting Systems far from Equilibrium. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198797241.001.0001.

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In quantum statistics based on many-body Green’s functions, the effective medium is represented by the selfenergy. This book aims to discuss the selfenergy from this point of view. The knowledge of the exact selfenergy is equivalent to the knowledge of the exact correlation function from which one can evaluate any single-particle observable. Complete interpretations of the selfenergy are as rich as the properties of the many-body systems. It will be shown that classical features are helpful to understand the selfenergy, but in many cases we have to include additional aspects describing the int
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Eriksson, Olle, Anders Bergman, Lars Bergqvist, and Johan Hellsvik. Density Functional Theory. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198788669.003.0001.

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Density functional theory (DFT) has established itself as a very capable platform for modelling from first principles electronic, optical, mechanical and structural properties of materials. Starting out from the Dirac equation for the many-body system of electrons and nuclei, an effective theory has been developed allowing for materials specific and parameter free simulations of non-magnetic and magnetic solid matter. In this Chapter an introduction will be given to DFT, the Hohenberg-Kohn theorems, the Kohn-Sham equation, and the formalism for how to deal with non-collinear magnetism.
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Morawetz, Klaus. Scattering on a Single Impurity. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198797241.003.0004.

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Evolution of a many-body system consists of permanent collisions among particles. Looking at the motion of a single particle, one can identify encounters by which a particle abruptly changes the direction of flight, these are seen as true collisions, and small-angle encounters, which in sum act as an applied force rather than randomising collisions. The scattering on impurities is used to introduce the mentioned mechanisms and, in particular, to show how they affect each other. Point impurities are assumed, i.e. impurities the potential of which is restricted to a single atomic site of the cry
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Succi, Sauro. LBE for Generalized Hydrodynamics. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780199592357.003.0025.

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This chapter presents the main techniques to incorporate the effects of external and/or internal forces within the LB formalism. This is a very important task, for it permits us to access a wide body of generalized hydrodynamic applications whereby fluid motion couples to a variety of additional physical aspects, such as gravitational and electric fields, potential energy interactions, chemical reactions and many others. It should be emphasized that while hosting a broader and richer phenomenology than “plain” hydrodynamics, generalized hydrodynamics still fits the hydrodynamic picture of weak
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Części książek na temat "Many-Body formalisms"

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Hecht, K. T. "Many-Body Formalism." In Quantum Mechanics. Springer New York, 2000. http://dx.doi.org/10.1007/978-1-4612-1272-0_78.

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Lindgren, Ingvar. "Time-Independent Formalism." In Relativistic Many-Body Theory. Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-15386-5_2.

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Lindgren, Ingvar. "Time-Dependent Formalism." In Relativistic Many-Body Theory. Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-15386-5_3.

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Lindgren, Ingvar. "Time-Independent Formalism." In Relativistic Many-Body Theory. Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-8309-1_2.

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Lindgren, Ingvar. "Time-Dependent Formalism." In Relativistic Many-Body Theory. Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-8309-1_3.

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Lindgren, Ingvar, and John Morrison. "Second Quantization and the Particle-Hole Formalism." In Atomic Many-Body Theory. Springer Berlin Heidelberg, 1986. http://dx.doi.org/10.1007/978-3-642-61640-2_11.

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Iafrate, G. J., J. B. Krieger, and Y. Li. "Many-Body Effects and Density Functional Formalism in Nanoelectronics." In Computational Electronics. Springer US, 1991. http://dx.doi.org/10.1007/978-1-4757-2124-9_37.

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Randazzo, Juan M., Carlos Marante, Siddhartha Chattopadhyay, et al. "ASTRA, A Transition Density Matrix Approach to the Interaction of Attosecond Radiation with Atoms and Molecules." In Springer Proceedings in Physics. Springer International Publishing, 2023. http://dx.doi.org/10.1007/978-3-031-47938-0_11.

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AbstractA new formalism and computer code, ASTRA (AttoSecond TRAnsitions), has been developed to treat the interactions of short, intense radiation with molecules. The formalism makes extensive use of transition density matrices, computed using a state-of-the-art quantum chemistry code (LUCIA), to efficiently calculate the many-body inter-channel-coupling interactions required to simulate the highly correlated electron dynamics due to atoms and molecules exposed to attosecond laser radiation.
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Piecuch, P. "Cartesian-Spherical Transformation Formalism and the Theoretical Insight into Many-Body Long-Range Forces of the Electrostatic Origin in Multimolecular Systems." In Interactions of Water in Ionic and Nonionic Hydrates. Springer Berlin Heidelberg, 1987. http://dx.doi.org/10.1007/978-3-642-72701-6_57.

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Xu, Yingte, Li Zhou, and Gilles Barthe. "D-Hammer: Efficient Equational Reasoning for Labelled Dirac Notation." In Lecture Notes in Computer Science. Springer Nature Switzerland, 2025. https://doi.org/10.1007/978-3-031-98685-7_3.

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Abstract Labelled Dirac notation is a formalism commonly used by physicists to represent many-body quantum systems and by computer scientists to assert properties of quantum programs. It is supported by a rich equational theory for proving equality between expressions in the language. These proofs are typically carried on pen-and-paper, and can be exceedingly long and error-prone. We introduce D-Hammer, the first tool to support automated equational proof for labelled Dirac notation. The salient features of D-Hammer include: an expressive, higher-order, dependently-typed language for labelled
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Streszczenia konferencji na temat "Many-Body formalisms"

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Koch, Stephan W., Hartmut Haug, and Murray Sargent. "Semiconductor laser theory with many-body effects." In OSA Annual Meeting. Optica Publishing Group, 1988. http://dx.doi.org/10.1364/oam.1988.mj5.

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A theory of a semiconductor laser is developed that includes the many-body effects due to Coulomb interactions. The theory is valid for both 3-D bulk semiconductors as well as quasi-2-D quantum well structures. We emphasize plasma density-dependent band gap renormalization, broadening due to intraband scattering, and electron–hole Coulomb enhancement. The very short intraband scattering relaxation time allows us to eliminate the interband polarization adiabatically and to introduce a hydrodynamic description of the intraband kinetics. From this general formulation a diffusion equation for the
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IMAMOVIC–TOMASOVIC, M., and A. GRIFFIN. "GENERALIZED BOLTZMANN EQUATION FOR A TRAPPED BOSE–CONDENSED GAS USING THE KADANOFF–BAYM FORMALISM." In Proceedings of the Conference “Kadanoff-Baym Equations: Progress and Perspectives for Many-Body Physics”. WORLD SCIENTIFIC, 2000. http://dx.doi.org/10.1142/9789812793812_0032.

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Khude, Naresh, Dan Melanz, Ilinca Stanciulescu, and Dan Negrut. "A Parallel GPU Implementation of the Absolute Nodal Coordinate Formulation With a Frictional/Contact Model for the Simulation of Large Flexible Body Systems." In ASME 2011 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/detc2011-48816.

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This contribution discusses how a flexible body formalism, specifically, the Absolute Nodal Coordinate Formulation (ANCF), is combined with a frictional/contact model using the Discrete Element Method (DEM) to address many-body dynamics problems; i.e., problems with hundreds of thousands of rigid and deformable bodies. Since the computational effort associated with these problems is significant, the analytical framework is implemented to leverage the computational power available on today’s commodity Graphical Processing Unit (GPU) cards. The code developed is validated against ANSYS and FEAP
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Bozzato, Loris, Thomas Eiter, and Luciano Serafini. "Enhancing Context Knowledge Repositories with Justifiable Exceptions (Extended Abstract)." In Twenty-Seventh International Joint Conference on Artificial Intelligence {IJCAI-18}. International Joint Conferences on Artificial Intelligence Organization, 2018. http://dx.doi.org/10.24963/ijcai.2018/786.

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The Contextualized Knowledge Repository (CKR) framework was conceived as a logic-based approach for representing context dependent knowledge, which is a well-known area of study in AI. The framework has a two-layer structure with a global context that contains context-independent knowledge and meta-information about the contexts, and a set of local contexts with specific knowledge bases. In many practical cases, it is desirable that inherited global knowledge can be "overridden" at the local level. In order to address this need, we present an extension of CKR with global defeasible axioms: the
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