Alston J Misquitta

6PUBLICATIONS
14CO-AUTHORS
Chemical thermodynamics and energeticsElectronic and magnetic properties of condensed matter; superconductivityNumerical solution of differential and integral equationsNonlinear optics and spectroscopyTheoretical quantum chemistry
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Publications (6)

|Aug 31, 2026
Symmetry-Adapted Relaxation Theory (SART): Variational Embedding for Convergent Infinite-Order Induction without Overpolarization.

|Jan 13, 2026
Is the Atomic Quadrupole Moment of a Carbon Atom in Graphene Zero? The Case for a Rational Definition of the Properties of Atoms in a Molecule.

Devin M Mulvey, Kenneth D Jordan, Alston J Misquitta

|Feb 18, 2025
Multi-center decomposition of molecular densities: A numerical perspective.

YingXing Cheng, Eric Cancès, Virginie Ehrlacher

|Dec 27, 2023
Performance of point charge embedding schemes for excited states in molecular organic crystals.

Amir Sidat, Michael Ingham, Miguel Rivera

|Apr 20, 2021
Assessment of SAPT and Supermolecular EDA Approaches for the Development of Separable and Polarizable Force Fields.

Sehr Naseem-Khan, Nohad Gresh, Alston J Misquitta

|Nov 27, 2019
First-Principles Many-Body Nonadditive Polarization Energies from Monomer and Dimer Calculations Only: A Case Study on Water.

Rory A J Gilmore, Martin T Dove, Alston J Misquitta

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Frequent Collaborators

1 joint publications

Martin T Dove

1 joint publications

Nohad Gresh

1 joint publications

Jean-Philip Piquemal

1 joint publications

Amir Sidat