“…The origin of these features is computationally rationalized as quantum mechanical interference of localized edge states showing significant amplitude and interlayer coupling variations as a function of the interface stacking configuration. …”
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“…Time-dependent density functional theory was used at the quantum mechanical level of theory, whereas the molecular mechanics description involved the polarizable AMOEBA force field. …”
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“…Furthermore, we have provided examples of “quantum-mechanical” calculations of nonlinear transfer functions for the implementation of the considered element in optical neural networks.…”
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“…Using a selection of key experiments performed over the past 30 years or so, we present a discussion of the strikingly counter-intuitive phenomena of the quantum world that defy explanation in terms of everyday "common sense" reasoning, and we provide the corresponding quantum mechanical explanations with a very elementary use of associated formalism. …”
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“…This book provides a comprehensive introduction into photonics, from the electrodynamic and quantum mechanic fundamentals to the level of photonic components and building blocks such as lasers, amplifiers, modulators, waveguides, and detectors. …”
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“…A solvable toy-model version of this dual is given by a quantum mechanical particle in a double well potential. …”
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“…Having access to ideal quantum mechanical resources, the prisoners’ dilemma can be ceased. …”
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“…Algebraic and differential geometry and topology, commutative algebra and group theory are as intimately connected to singularity theory as are dynamical systems theory, control theory, differential equations, quantum mechanical and quasi-classical asymptotics, optics, and functional analysis. …”
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“…In accordance with previous general arguments, we derive an open quantum-mechanical description of this D-brane foam which embodies momentum and energy conservation and small mean energy fluctuations. …”
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“…We clarify the relationship between canonical-conjugate operators and introduce the additional discrete symmetry C′, previously introduced for quantum-mechanical systems, and show that the C′PT inner product does yield a positive-definite norm, and hence is appropriate for defining the Fock space in non-Hermitian models with PT symmetry in terms of energy eigenstates. …”
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“…If the gauge fields are amplified from the inflationary vacuum, the quantum mechanical initial data correspond to travelling waves that turn asymptotically into standing waves whose phases only depend on the evolution of the gauge coupling. …”
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“…The coherence of the relic gravitons is investigated within a quantum mechanical perspective. After introducing the notion and the properties of the generalized Glauber correlators valid in the tensor case, the degrees of first- and second-order coherence are evaluated both inside and beyond the effective horizon. …”
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“…Semiclassical arguments have been used to explain these trends despite the importance of quantum mechanical tunneling in CPET reactions. Here we report variable temperature kinetic isotope effect (KIE) data for the reactivity of a terminal Co-oxo complex with C–H bonds. …”
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“…This work is the first analysis of the behavior of a graphene vacancy at room temperature in contact with water based on a quantum mechanical molecular dynamics method, where both graphene and solvent are treated at the same level.…”
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“…All the main thermodynamic properties of the crystal, e.g., the kinetic energy per atom, are predicted to be essentially independent of temperature below ∼ 1 K. Quantum-mechanical exchanges are virtually non-existent in this system, even at the lowest temperature considered. …”
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“…In recent years, the prediction of quantum mechanical observables with machine learning methods has become increasingly popular. …”
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“…The method is based on a hierarchical tree constructed from attention values extracted from a graph neural network (GNN), which was trained to predict atomic partial charges from accurate quantum-mechanical (QM) calculations. The resulting dynamic attention-based substructure hierarchy (DASH) approach provides fast assignment of partial charges with the same accuracy as the GNN itself, is software-independent, and can easily be integrated in existing parametrization pipelines, as shown for the Open force field (OpenFF). …”
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“…In the present article an attempt is made to discuss two previously published papers, one in 1953 and the other in 2010, and to illustrate how additional functionality can be implemented in the form of accessible data sourced from quantum mechanical calculation and how subsequent discourse in the form of blogs may add to the process. …”
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“…Considering the analogy of wave functions of the transverse HG mode and 2D harmonic oscillator, we propose that the simple monolithic SFD lasers can be used for developing of new materials and devices and testing 2D quantum mechanical theories.…”
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“…Some recent resonators properly designed for exploiting bulk-acoustic resonance have been demonstrated to operate close to the quantum mechanical limit for the quality factor and frequency product (Q-f). …”
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