Andrew M. Teale

University of Nottingham — United Kingdom

Physics and Astronomy · Physical Sciences

31h-index4.2kcitations135works1.82yr avg
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Research Topics

Advanced Chemical Physics Studies(77), Spectroscopy and Quantum Chemical Studies(39), Crystallization and Solubility Studies(22), X-ray Diffraction in Crystallography(22), Machine Learning in Materials Science(15)

Publications135 total

Tackling the one-electron self-interaction error within the semilocal density functional framework
Physical review. B./Physical review. B·2025
Correction: Molecular Aharonov–Bohm-type interferometers based on porphyrin nanorings
Chemical Science·2025Open Access
Molecular Aharonov–Bohm-type interferometers based on porphyrin nanorings
Chemical Science·2025· 5 citedOpen Access
Classical Reaction Barriers in DFT: An Adiabatic-Connection Perspective
Journal of Chemical Theory and Computation·2024· 1 citedOpen Access
Exact nuclear cusps in all-electron orbital-free density functional theory
Physical review. B./Physical review. B·2024· 3 citedOpen Access
Molecular Aharonov-Bohm Interferometers Based on Porphyrin Nanorings
2024Open Access
How Semilocal Are Semilocal Density Functional Approximations? -Tackling Self-Interaction Error in One-Electron Systems
arXiv (Cornell University)·2024Open Access
Ab Initio Calculation of Coupling-Constant Averaged Exchange–Correlation Holes for Spherically Symmetric Atoms
The Journal of Physical Chemistry A·2024· 1 citedOpen Access
Modeling interactions between rubidium atom and magnetometer cell wall molecules
The Journal of Chemical Physics·2024· 1 citedOpen Access
Modelling interactions between rubidium atom and magnetometer cell wall molecules
2024· 1 citedOpen Access
Coupling-Constant Averaged Exchange-Correlation Hole for He, Li, Be, N, Ne Atoms from CCSD
arXiv (Cornell University)·2024Open Access
Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for Hooke’s atoms
The Journal of Chemical Physics·2024· 6 citedOpen Access
Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT
Physical Chemistry Chemical Physics·2024· 5 citedOpen Access
<scp>QSym</scp><scp><sup>2</sup></scp>: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure
Journal of Chemical Theory and Computation·2023· 6 citedOpen Access
Magnetic optical rotation from real-time simulations in finite magnetic fields
The Journal of Chemical Physics·2023· 4 citedOpen Access
QSym$^2$: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure
arXiv (Cornell University)·2023Open Access
Real-time time-dependent self-consistent field methods with dynamic magnetic fields
The Journal of Chemical Physics·2023· 2 citedOpen Access
Semiempirical Methods for Molecular Systems in Strong Magnetic Fields
Journal of Chemical Theory and Computation·2023· 6 citedOpen Access
Modelling interactions between rubidium atom and magnetometer cell wall molecules
2023· 1 citedOpen Access
Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields
arXiv (Cornell University)·2023Open Access
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Frequent Co-authors

Trygve Helgaker(28), David J. Tozer(16), Tom J. P. Irons(11), Erik I. Tellgren(9), Sonia Coriani(7), Ulf Ekström(7), Frank De Proft(5), Simen Kvaal(5), James W. Furness(5), M J Peach(5), Paola Gori‐Giorgi(4), Stella Stopkowicz(4), Alex Borgoo(4), Hans Jørgen Aa. Jensen(3), Wim Klopper(3), Ola B. Lutnæs(3), Thomas Bondo Pedersen(3), Andreas Savin(3), Emmanuel Fromager(3), Paul Geerlings(3)