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Journal of Chemical Theory and Computation|November 26, 2015
A Simple Algorithm for Determining Orthogonal, Self-Consistent Excited-State Wave Functions for a State-Specific Hamiltonian: Application to the Optical Spectrum of the Aqueous ElectronLeif D Jacobson, John M HerbertMolecules (Basel, Switzerland)|November 13, 2021
Interaction Energy Analysis of Monovalent Inorganic Anions in Bulk Water Versus Air/Water InterfaceJohn M Herbert, Suranjan K PaulJournal of Chemical Theory and Computation|July 10, 2020
State-Targeted Energy Projection: A Simple and Robust Approach to Orbital Relaxation of Non-Aufbau Self-Consistent Field SolutionsKevin Carter-Fenk, John M HerbertScience (New York, N.Y.)|March 19, 2011
Comment on "Does the hydrated electron occupy a cavity?"Leif D Jacobson, John M HerbertJournal of the American Chemical Society|January 17, 2025
Substituent and Heteroatom Effects on π-π Interactions: Evidence That Parallel-Displaced π-Stacking is Not Driven by Quadrupolar ElectrostaticsBrandon Schramm, Montgomery Gray, John M HerbertThe Journal of Physical Chemistry. A|April 21, 2025
Revisiting the Half-and-Half FunctionalMontgomery Gray, Aniket Mandal, John M HerbertThe Journal of Physical Chemistry. B|August 24, 2019
Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated ElectronSaswata Dasgupta, Bhaskar Rana, John M HerbertPhysical Chemistry Chemical Physics : PCCP|December 21, 2016
On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground- and excited states in solutionJan-Michael Mewes, John M Herbert, Andreas DreuwThe Journal of Physical Chemistry Letters|June 8, 2022
Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFTBhaskar Rana, Marc P Coons, John M HerbertThe Journal of Chemical Physics|July 25, 2024
A new parameterization of the DFT/CIS method with applications to core-level spectroscopyAniket Mandal, Eric J Berquist, John M HerbertPageof 15