Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study
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We find the conditions under which scale-invariant Einstein-Cartan gravity with scalar matter fields leads to an approximate conformal invariance of the flat space particle theory up to energies of the order of the Planck mass. In the minimal setup, these ...
We present first-principles calculations of the dynamic susceptibility in strained and doped ferromagnetic MnBi using time-dependent density functional theory. In spite of being a metal, MnBi exhibits signatures of strong correlation and a proper descripti ...
Quantum Field Theories (QFTs) in Anti-de Sitter (AdS) spacetime are often strongly coupled when the radius of AdS is large, and few methods are available to study them. In this work, we develop a Hamiltonian truncation method to compute the energy spectrum ...
Amides are common constituents in natural organic matter and synthetic chemicals. In this study, we investi-gated kinetics and mechanisms of the reactions of chlorine with seven amides, including acetamide, N-meth-ylformamide, N-methylacetamide, benzamide, ...
Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...
The controllability cost for the heat equation as the control time T goes to 0 is well-known of the order eC/T for some positive constant C, depending on the controlled domain and for all initial datum. In this paper, we prove that the constant $C ...
This paper is devoted to the distributed complexity of finding an approximation of the maximum cut (MAXCUT) in graphs. A classical algorithm consists in letting each vertex choose its side of the cut uniformly at random. This does not require any communica ...
This paper is devoted to the distributed complexity of finding an approximation of the maximum cut in graphs. A classical algorithm consists in letting each vertex choose its side of the cut uniformly at random. This does not require any communication and ...
One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients such as electro ...
In this paper, we focus on a theory-practice gap for Adam and its variants (AMSgrad, AdamNC, etc.). In practice, these algorithms are used with a constant first-order moment parameter 1 (typically between 0:9 and 0:99). In theory, regret guarantees for onl ...