A. Borgoo

发表

Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry

P. Geerlings, M. Godefroid, A. Borgoo, 2011, 1102.1914.

Defining statistical relative complexity measure: Application to diversity in atoms

P. Geerlings, K. Sen, A. Borgoo, 2011 .

Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum.

T. Helgaker, E. Tellgren, A. Borgoo, 2020, Physical chemistry chemical physics : PCCP.

Accurate measurement of SpO2 and dermal skin hydration using a wearable miniaturized spectrometer

R. Van Beers, W. van der Tempel, M. Hornikx, 2022, BiOS.

Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potential.

P. Geerlings, D. Tozer, A. Borgoo, 2009, Physical chemistry chemical physics : PCCP.

Kohn–Sham energy decomposition for molecules in a magnetic field

T. Helgaker, A. M. Teale, E. Tellgren, 2018, Molecular Physics.

Negative electron affinities from DFT: influence of asymptotic exchange-correlation potential and effective homogeneity under density scaling.

D. Tozer, A. Borgoo, 2012, The journal of physical chemistry. A.

Excitation energies from ensemble DFT

T. Helgaker, A. M. Teale, A. Borgoo, 2015 .

Time-resolved THz Stark spectroscopy

M. Cascella, T. Feurer, A. Cannizzo, 2022, 2212.10333.

Influence of confinement on atomic and molecular reactivity indicators in DFT.

P. Geerlings, D. Tozer, A. Borgoo, 2008, Physical chemistry chemical physics : PCCP.

Chemical Information from Information Discrimination and Relative Complexity

P. Geerlings, K. Sen, A. Borgoo, 2011 .

P. Geerlings, F. Proft, M. Torrent‐Sucarrat, 2007, The Journal of chemical physics.

Information carriers and (reading them through) information theory in quantum chemistry.

P. Geerlings, A. Borgoo, 2011, Physical chemistry chemical physics : PCCP.

Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals.

P. Ayers, P. Geerlings, A. Borgoo, 2007, The Journal of chemical physics.

N-derivative of Shannon entropy of shape function for atoms

Paul Geerlings, P. Geerlings, F. Proft, 2005 .

Complexity of Dirac–Fock atom increases with atomic number

P. Geerlings, F. Proft, K. Sen, 2007 .

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

T. Helgaker, A. M. Teale, E. Tellgren, 2017, Journal of chemical theory and computation.

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

T. Helgaker, A. M. Teale, U. Ekström, 2015, Physical chemistry chemical physics : PCCP.

Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance.

A. Toro‐Labbé, P. Geerlings, P. Jaque, 2009, Physical chemistry chemical physics : PCCP.

Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution.

Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, 2014, The Journal of chemical physics.

Information theoretical study of chirality: enantiomers with one and two asymmetric centra.

P. Geerlings, C. Van Alsenoy, A. Borgoo, 2008, The journal of physical chemistry. A.

Electron density and Fisher information of Dirac-Fock atoms

Paul Geerlings, P. Geerlings, K. D. Sen, 2008 .

P. Geerlings, F. Proft, M. Godefroid, 2004 .

P. Geerlings, P. Indelicato, M. Godefroid, 2007, The Journal of chemical physics.

Multiconfiguration electron density function for the ATSP2K-package

Gediminas Gaigalas, Michel R. Godefroid, O. Scharf, 2009, Comput. Phys. Commun..

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

A. M. Teale, D. Tozer, A. Borgoo, 2012, The Journal of chemical physics.

Molecular Binding in Post-Kohn-Sham Orbital-Free DFT.

D. Tozer, A. Borgoo, James A. Green, 2014, Journal of chemical theory and computation.

Density Scaling of Noninteracting Kinetic Energy Functionals.

D. Tozer, A. Borgoo, 2013, Journal of chemical theory and computation.