John M Herbert

12PUBLICATIONS
128CO-AUTHORS
Theoretical quantum chemistryMathematical aspects of classical mechanics, quantum mechanics and quantum information theoryChemical thermodynamics and energeticsNumerical solution of differential and integral equationsNonlinear optics and spectroscopy
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Publications (12)

|Oct 02, 2021
Nonadiabatic dynamics with spin-flip vs linear-response time-dependent density functional theory: A case study for the protonated Schiff base C5H6NH2.

Xing Zhang, John M Herbert

|Sep 02, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Jul 23, 2021
Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory.

Montgomery Gray, John M Herbert

|Dec 16, 2019
The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients.

Christopher J Stein, John M Herbert, Martin Head-Gordon

|Nov 17, 2019
Erratum: "Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface" [J. Chem. Phys. 148, 222834 (2018)].

Suranjan K Paul, Marc P Coons, John M Herbert

|Nov 10, 2019
Fantasy versus reality in fragment-based quantum chemistry.

John M Herbert

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Frequent Collaborators

2 joint publications

Ying Zhu

2 joint publications

Kuan-Yu Liu

2 joint publications

Kevin Carter-Fenk

2 joint publications

Christopher J Stein