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Alex Borgoo
Alex Borgoo
The Centre for Theoretical and Computational Chemistry (CTCC)
Verified email at kjemi.uio.no
Title
Cited by
Cited by
Year
Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals
PW Ayers, F De Proft, A Borgoo, P Geerlings
The Journal of chemical physics 126 (22), 2007
802007
Complexity of Dirac–Fock atom increases with atomic number
A Borgoo, F De Proft, P Geerlings, KD Sen
Chemical physics letters 444 (1-3), 186-191, 2007
742007
Quantum similarity of atoms: a numerical Hartree–Fock and Information Theory approach
A Borgoo, M Godefroid, KD Sen, F De Proft, P Geerlings
Chemical physics letters 399 (4-6), 363-367, 2004
742004
Quantum similarity study of atomic density functions: Insights from information theory and the role of relativistic effects
A Borgoo, M Godefroid, P Indelicato, F De Proft, P Geerlings
The Journal of chemical physics 126 (4), 2007
512007
The importance of current contributions to shielding constants in density-functional theory
S Reimann, U Ekström, S Stopkowicz, AM Teale, A Borgoo, T Helgaker
Physical Chemistry Chemical Physics 17 (28), 18834-18842, 2015
462015
Influence of confinement on atomic and molecular reactivity indicators in DFT
A Borgoo, DJ Tozer, P Geerlings, F De Proft
Physical Chemistry Chemical Physics 10 (10), 1406-1410, 2008
442008
N-derivative of Shannon entropy of shape function for atoms
KD Sen, F De Proft, A Borgoo, P Geerlings
Chemical physics letters 410 (1-3), 70-76, 2005
442005
Information theoretical study of chirality: enantiomers with one and two asymmetric centra
S Janssens, A Borgoo, CV Alsenoy, P Geerlings
The Journal of Physical Chemistry A 112 (42), 10560-10569, 2008
422008
Confinement effects on excitation energies and regioselectivity as probed by the Fukui function and the molecular electrostatic potential
A Borgoo, DJ Tozer, P Geerlings, F De Proft
Physical Chemistry Chemical Physics 11 (16), 2862-2868, 2009
402009
Quantum similarity study of atoms: A bridge between hardness and similarity indices
A Borgoo, M Torrent-Sucarrat, F De Proft, P Geerlings
The Journal of chemical physics 126 (23), 2007
392007
Magnetic-field density-functional theory (BDFT): Lessons from the adiabatic connection
S Reimann, A Borgoo, EI Tellgren, AM Teale, T Helgaker
Journal of Chemical Theory and Computation 13 (9), 4089-4100, 2017
382017
Electron density and Fisher information of Dirac–Fock atoms
A Borgoo, P Geerlings, KD Sen
Physics Letters A 372 (31), 5106-5109, 2008
382008
Analyzing Kullback–Leibler information profiles: an indication of their chemical relevance
A Borgoo, P Jaque, A Toro-Labbé, C Van Alsenoy, P Geerlings
Physical Chemistry Chemical Physics 11 (3), 476-482, 2009
372009
Density scaling of noninteracting kinetic energy functionals
A Borgoo, DJ Tozer
Journal of chemical theory and computation 9 (5), 2250-2255, 2013
352013
Information carriers and (reading them through) information theory in quantum chemistry
P Geerlings, A Borgoo
Physical Chemistry Chemical Physics 13 (3), 911-922, 2011
342011
Charge-constrained auxiliary-density-matrix methods for the Hartree–Fock exchange contribution
P Merlot, R Izsák, A Borgoo, T Kjærgaard, T Helgaker, S Reine
The Journal of Chemical Physics 141 (9), 2014
292014
Kohn–Sham energy decomposition for molecules in a magnetic field
S Reimann, A Borgoo, J Austad, EI Tellgren, AM Teale, T Helgaker, ...
Molecular Physics 117 (1), 97-109, 2019
282019
Molecular binding in post-Kohn–Sham orbital-free DFT
A Borgoo, JA Green, DJ Tozer
Journal of chemical theory and computation 10 (12), 5338-5345, 2014
272014
Effective homogeneity of the exchange–correlation and non-interacting kinetic energy functionals under density scaling
A Borgoo, AM Teale, DJ Tozer
The Journal of Chemical Physics 136 (3), 2012
272012
Multiconfiguration electron density function for the ATSP2K-package
A Borgoo, O Scharf, G Gaigalas, M Godefroid
Computer physics communications 181 (2), 426-439, 2010
262010
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