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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)

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|Oct 02, 2021

Nonadiabatic dynamics with spin-flip vs linear-response time-dependent density functional theory: A case study for the protonated Schiff base C<sub>5</sub>H<sub>6</sub>NH<sub>2</sub><sup></sup>.

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

2 joint publications

Martin Head-Gordon

2 joint publications

Xing Zhang

1 joint publications

Montgomery Gray

1 joint publications

Xintian Feng

1 joint publications

Yuezhi Mao

1 joint publications

Alec F White

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

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