Exploring the Nexus of Many-Body Theories through Neural Network Techniques: the Tangent Model

• URL: http://arxiv.org/abs/2501.15792v1
• Date: Mon, 27 Jan 2025 05:36:55 GMT
• Title: Exploring the Nexus of Many-Body Theories through Neural Network Techniques: the Tangent Model
• Authors: Senwei Liang, Karol Kowalski, Chao Yang, Nicholas P. Bauman,
• Abstract summary: We present a physically informed neural network representation of the effective interactions associated with coupled-cluster downfolding models. The representation allows us to evaluate the effective interactions efficiently for various geometrical configurations of chemical systems.
• Score: 4.955567578189708
• License:
• Abstract: In this paper, we present a physically informed neural network representation of the effective interactions associated with coupled-cluster downfolding models to describe chemical systems and processes. The neural network representation not only allows us to evaluate the effective interactions efficiently for various geometrical configurations of chemical systems corresponding to various levels of complexity of the underlying wave functions, but also reveals that the bare and effective interactions are related by a tangent function of some latent variables. We refer to this characterization of the effective interaction as a tangent model. We discuss the connection between this tangent model for the effective interaction with the previously developed theoretical analysis that examines the difference between the bare and effective Hamiltonians in the corresponding active spaces.

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