Results 111 to 120 of about 29,483 (162)

The anti-crystal engineering principles of imidazolium cations for ionic liquids.

CrystEngComm
Hillesheim PC, Mirjafari A.
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Reachable Set Bounding for Delay Second-Order Memristive Neural Networks

International Conference on Computing, Networking and Communications, 2023
This paper focuses on the reachable set bounding problem of delayed second-order memristive neural networks (DSMNNs). By introducing the inertial term into memristive neural networks (MNNs), MNNs are modeled as second-order differential equations with ...
Junjie He, Jiemei Zhao, Binbin Chen
semanticscholar   +1 more source

Second-order teleparallel gauge theory

Classical and quantum gravity, 2023
In this work, we analyze second-order extensions of teleparallel theories of gravity as gauge theories for the translation group. We use Utiyama’s approach to gauge theories and show that it is possible to include second-order derivative terms in the ...
E. M. B. Assencio, R. S. Caraça, S. G. Vilhena, P. Pompeia   +3 more
semanticscholar   +1 more source

Local Second-Order Møller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment.

Journal of Chemical Theory and Computation, 2023
It has long been clear that electron correlation methods exhibit unphysical compute scalings with molecular size, which has motivated the development of local correlation methods to discard effectively zero contributions in a controlled way to yield an ...
Zhenling Wang, Abdulrahman Aldossary, Tianyi Shi, Yang Liu, X. Li, M. Head‐Gordon   +5 more
semanticscholar   +1 more source

Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Mo̷ller-Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms.

Journal of Chemical Theory and Computation
Energy decomposition analysis (EDA) based on density functional theory (DFT) and self-consistent field (SCF) calculations has become widely used for understanding intermolecular interactions.
Zhenling Wang, Kevin Ikeda, Hengyuan Shen, Matthias Loipersberger, Alexander Zech, Abdulrahman Aldossary, T. Head‐Gordon, M. Head‐Gordon   +7 more
semanticscholar   +1 more source

Probabilistic approximation of fully nonlinear second-order PIDEs with convergence rates for the universal robust limit theorem

Stochastic Processes and their Applications
This paper develops a probabilistic approximation scheme for a class of nonstandard, fully nonlinear second-order partial integro-differential equations (PIDEs) associated with nonlinear Levy processes under Peng's G-expectation framework.
Lianzi Jiang, Mingshang Hu, Gechun Liang
semanticscholar   +1 more source

Extending the Scope of Conceptual Density Functional Theory with Second Order Analytical Methodologies.

Journal of Chemical Theory and Computation
In the context of the growing impact of conceptual density functional theory (DFT) as one of the most successful chemical reactivity theories, response functions up to second order have now been widely applied; in recent years, among others, particular ...
Bin Wang, P. Geerlings, Shubin Liu, F. de Proft   +3 more
semanticscholar   +1 more source

More Numerical Precision for Less Compute Cost: Optimizing a Local Correlation Algorithm for Second Order Møller-Plesset Theory and Comparing against Pair Natural Orbital Methods.

Journal of Chemical Theory and Computation
Correlations associated with dynamical fluctuations of electrons in molecules can be spatially localized, which offers the promise of reducing the compute complexity of many-body quantum chemical methods such as second-order Møller-Plesset (MP2) theory ...
Zhenling Wang, Haobo Ling, Tianyi Shi, Yao Shen, Zhe Wang, Yang Liu, X. Li, Martin Head-Gordon   +7 more
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Second-order sliding set design for a class of uncertain nonlinear systems with disturbances: An LMI approach

Mathematics and Computers in Simulation, 2019
In this paper, a linear matrix inequality-based second-order sliding set control is proposed for the uncertain systems with time-varying uncertainties, nonlinearities and external disturbances.
Maryam Jafari, Saleh Mobayen
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Assessing the G0W0Γ0(1) Approach: Beyond G0W0 with Hedin's Full Second-Order Self-Energy Contribution.

Journal of Chemical Theory and Computation, 2021
We present and benchmark a self-energy approach for quasiparticle energy calculations that goes beyond Hedin's GW approximation by adding the full second-order self-energy (FSOS-W) contribution.
Yanyong Wang, P. Rinke, X. Ren
semanticscholar   +1 more source