John M Herbert

63PUBLICATIONS
46CO-AUTHORS
Theoretical quantum chemistryComputational chemistryElectronic and magnetic properties of condensed matter; superconductivityRadiation and matterSpatial data and applications
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (63)

|May 04, 2026
Benchmark assessment of collinear, mixed-reference, and spin-adapted variants of spin-flip time-dependent density functional theory, for closed- and open-shell molecules.

|Mar 30, 2026
Energy-Screened Many-Body Expansion for Protein-Ligand Interactions: Examining Convergence for Metalloenzymes Through Seven-Body Interactions.

Paige E Bowling, Dustin R Broderick, John M Herbert

|Nov 19, 2025
Extended Configuration-Interaction Singles Method with Core/Valence Separation (XCIS-CVS): Core-Level Spectra of Open-Shell Molecules.

Avik Kumar Ojha, John M Herbert

|Jul 21, 2025
Computing L- and M-edge spectra using the DFT/CIS method with spin-orbit coupling.

Aniket Mandal, John M Herbert

|Apr 21, 2025
Revisiting the Half-and-Half Functional.

Montgomery Gray, Aniket Mandal, John M Herbert

|Mar 07, 2025
Untangling Sources of Error in the Density-Functional Many-Body Expansion.

Dustin R Broderick, John M Herbert

Pageof 11

Frequent Collaborators

9 joint publications

Kevin Carter-Fenk

5 joint publications

Aniket Mandal

4 joint publications

Ka Un Lao

4 joint publications

Bhaskar Rana