Recent Developments in Noncovalent Interaction Methods

30 March 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


The development of noncovalent interaction methods has been a long journey since the first use 40 years ago. Enormous efforts have been made, starting from a simple semiempirical approach to a complex wavefunction approach. In this review, we will first discuss a classification of molecular forces, followed by the recent method development of noncovalent interactions. Mainly, we will focus on dispersion-corrected methods in density functional theory, semiempirical molecular orbital, and wavefunction-based approaches.


noncovalent interactions
weak interactions
dispersion corrections


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