List of works - Andrew M. Teale

A density difference based analysis of orbital-dependent exchange-correlation functionals

scientific article published on 4 November 2013

Accurate calculation and modeling of the adiabatic connection in density functional theory

scientific article published on 01 April 2010

Adiabatic connection forms in density functional theory: H2 and the He isoelectronic series

scientific article

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory

scientific article published on 01 October 2013

Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory

scientific article published on 10 February 2020

Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach.

scientific article published in July 2014

Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations

scientific article

Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations

scientific article published on 01 October 2009

Calculating excitation energies by extrapolation along adiabatic connections ⬇️

Choice of basic variables in current-density-functional theory

Communication: Analytic gradients in the random-phase approximation

scientific article

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential

scientific article published on 01 September 2011

Connections between variation principles at the interface of wave-function and density-functional theories

scientific article

Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals

scientific article published on 14 August 2015

Differentiable but exact formulation of density-functional theory

scientific article published on 01 May 2014

Dispersion interactions in density-functional theory: An adiabatic-connection analysis

scientific article published on 01 November 2011

Effective homogeneity of the exchange–correlation and non-interacting kinetic energy functionals under density scaling ⬇️

scientific article published on January 21, 2012

Efficient Calculation of Molecular Integrals over London Atomic Orbitals.

scientific article published on 10 July 2017

Electron localisation function in current-density-functional theory

Exchange methods in Kohn-Sham theory

scientific article published on 19 July 2005

Exchange representations in Kohn–Sham NMR shielding calculations

article published in 2004

Excitation energies along a range-separated adiabatic connection. ⬇️

scientific article published in July 2014

Excited states from range-separated density-functional perturbation theory

Foreword

GW quasiparticle energies of atoms in strong magnetic fields

scientific article published on 01 June 2019

Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree–Fock-based density-functional theory

article

High accuracy ab initio studies of electron-densities for the ground state of Be-like atomic systems

scientific article published on 01 April 2013

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

scientific article published on 2 August 2017

Maps of current density using density-functional methods.

scientific article published in August 2008

Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods

scientific article published on 17 March 2021

Modeling the adiabatic connection in H2

scientific article published on 01 June 2007

Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants

New approaches to study excited states in density functional theory: general discussion

scientific article published on 27 November 2020

New density-functional approximations and beyond: general discussion

scientific article published on 24 November 2020

Non-perturbative calculation of molecular magnetic properties within current-density functional theory.

scientific article published in January 2014

Optimizing Molecular Geometries in Strong Magnetic Fields

scientific article published on 17 March 2021

Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity

scientific article published on 01 July 2008

Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method ⬇️

scientific article published in July 2014

Range-dependent adiabatic connections

scientific article published on 01 October 2010

Revealing the exotic structure of molecules in strong magnetic fields

scientific article published in 2022

Revisiting the density scaling of the non-interacting kinetic energy

scientific article published on 01 July 2014

Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method

scientific article published on 24 December 2020

RotationalgTensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential Approach

scientific article published on 01 May 2006

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches

scientific article published on 17 August 2021

Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuation.

scientific article published in July 2010

Spin flipping in ring-coupled-cluster-doubles theory

Structural and electronic studies of substituted <i>m</i>-terphenyl lithium complexes

scientific article published on 21 December 2020

The Dalton quantum chemistry program system

scientific article (publication date: May 2014)

The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems

scientific article published on 01 March 2009

The importance of current contributions to shielding constants in density-functional theory

scientific article published in July 2015

The intramolecular β-fluorine⋯ammonium interaction in 4- and 8-membered rings

scientific article published on 21 June 2006

Topological Analysis of Functions on Arbitrary Grids: Applications to Quantum Chemistry

scientific article published in 2022

Transition metal NMR chemical shifts from optimized effective potentials

scientific article published on 01 February 2007

Uniform magnetic fields in density-functional theory.

scientific article published in January 2018

List of works by Andrew M. Teale

A density difference based analysis of orbital-dependent exchange-correlation functionals

Accurate calculation and modeling of the adiabatic connection in density functional theory

Adiabatic connection forms in density functional theory: H2 and the He isoelectronic series

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory

Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory

Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach.

Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations

Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations

Calculating excitation energies by extrapolation along adiabatic connections ⬇️

Choice of basic variables in current-density-functional theory

Communication: Analytic gradients in the random-phase approximation

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential

Connections between variation principles at the interface of wave-function and density-functional theories

Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals

Differentiable but exact formulation of density-functional theory

Dispersion interactions in density-functional theory: An adiabatic-connection analysis

Effective homogeneity of the exchange–correlation and non-interacting kinetic energy functionals under density scaling ⬇️

Efficient Calculation of Molecular Integrals over London Atomic Orbitals.

Electron localisation function in current-density-functional theory

Exchange methods in Kohn-Sham theory

Exchange representations in Kohn–Sham NMR shielding calculations

Excitation energies along a range-separated adiabatic connection. ⬇️

Excited states from range-separated density-functional perturbation theory

Foreword

GW quasiparticle energies of atoms in strong magnetic fields

Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree–Fock-based density-functional theory

High accuracy ab initio studies of electron-densities for the ground state of Be-like atomic systems

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

Maps of current density using density-functional methods.

Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods

Modeling the adiabatic connection in H2

Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants

New approaches to study excited states in density functional theory: general discussion

New density-functional approximations and beyond: general discussion

Non-perturbative calculation of molecular magnetic properties within current-density functional theory.

Optimizing Molecular Geometries in Strong Magnetic Fields

Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity

Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method ⬇️

Range-dependent adiabatic connections

Revealing the exotic structure of molecules in strong magnetic fields

Revisiting the density scaling of the non-interacting kinetic energy

Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method

RotationalgTensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential Approach

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches

Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuation.

Spin flipping in ring-coupled-cluster-doubles theory

Structural and electronic studies of substituted <i>m</i>-terphenyl lithium complexes

The Dalton quantum chemistry program system

The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems

The importance of current contributions to shielding constants in density-functional theory

The intramolecular β-fluorine⋯ammonium interaction in 4- and 8-membered rings

Topological Analysis of Functions on Arbitrary Grids: Applications to Quantum Chemistry

Transition metal NMR chemical shifts from optimized effective potentials

Uniform magnetic fields in density-functional theory.