Chandler Bennett

Works (2)

Updated: July 27th, 2023 06:45

2018 article

A new generation of effective core potentials from correlated calculations: 2nd row elements

Bennett, M. C., Wang, G., Annaberdiyev, A., Melton, C. A., Shulenburger, L., & Mitas, L. (2018, September 14). The Journal of Chemical Physics, Vol. 149.

By: M. Bennett n, G. Wang n, A. Annaberdiyev n, C. Melton n, L. Shulenburger * & L. Mitas n 

Contributors: M. Bennett n, G. Wang n, A. Annaberdiyev  n, C. Melton n, L. Shulenburger * & L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; Spectroscopy and Quantum Chemical Studies; Crystallography and molecular interactions; High-pressure geophysics and materials
TL;DR: This work constructs He-core ccECPs for the whole 2nd row with typical discrepancies of ≈0.01 eV or smaller and shows a systematic balance between the criteria of atomic spectra accuracy and transferability for molecular bonds. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: October 16, 2018

2018 article

A new generation of effective core potentials from correlated calculations: 3d transition metal series

Annaberdiyev, A., Wang, G., Melton, C. A., Bennett, M. C., Shulenburger, L., & Mitas, L. (2018, October 3). The Journal of Chemical Physics, Vol. 149.

By: A. Annaberdiyev n, G. Wang n, C. Melton n, M. Bennett n, L. Shulenburger * & L. Mitas n 

Contributors: A. Annaberdiyev  n, G. Wang n, C. Melton n, M. Bennett n, L. Shulenburger * & L. Mitas n 

topics (OpenAlex): Advanced Chemical Physics Studies; Crystallography and molecular interactions; Spectroscopy and Quantum Chemical Studies; Advanced Physical and Chemical Molecular Interactions; High-pressure geophysics and materials
TL;DR: A new generation of effective core potentials (ECPs) designed for accurate correlated calculations but equally useful for a broad variety of approaches are presented, showing a high overall accuracy with valence spectral discrepancies typically ≈0.01-0.02 eV or better. (via Semantic Scholar)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: October 19, 2018

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