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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
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
712004
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), 224107, 2007
672007
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), 044102, 2007
512007
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
412008
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
402015
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
402005
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
392008
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
362009
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
362009
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), 234104, 2007
362007
Electron density and Fisher information of Dirac–Fock atoms
A Borgoo, P Geerlings, KD Sen
Physics Letters A 372 (31), 5106-5109, 2008
342008
Density scaling of noninteracting kinetic energy functionals
A Borgoo, DJ Tozer
Journal of chemical theory and computation 9 (5), 2250-2255, 2013
312013
Information carriers and (reading them through) information theory in quantum chemistry
P Geerlings, A Borgoo
Physical Chemistry Chemical Physics 13 (3), 911-922, 2011
302011
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
292017
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), 034101, 2012
262012
Multiconfiguration electron density function for the ATSP2K-package
A Borgoo, O Scharf, G Gaigalas, M Godefroid
Computer physics communications 181 (2), 426-439, 2010
252010
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
242014
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), 094104, 2014
212014
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
182019
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