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Defining statistical relative complexity measure: Application to diversity in atoms

Physics letters. A, 2011-10, Vol.375 (44), p.3829-3833

2011

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Influence of confinement on atomic and molecular reactivity indicators in DFT

Physical chemistry chemical physics : PCCP, 2008-03, Vol.10 (10), p.1406-1410

2008

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Quantum similarity study of atomic density functions:Insights from information theory and the role of relativistic effects

The Journal of chemical physics, 2007-01, Vol.126 (4), p.044102-044102-10

2007

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Quantum similarity study of atoms: a bridge between hardness and similarity indices

The Journal of chemical physics, 2007-06, Vol.126 (23), p.234104-234104

2007

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Quantum similarity of atoms: a numerical Hartree–Fock and Information Theory approach

Chemical physics letters, 2004-12, Vol.399 (4), p.363-367

2004

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N-derivative of Shannon entropy of shape function for atoms

Chemical physics letters, 2005-07, Vol.410 (1), p.70-76

2005

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Comparative characterization of two-electron wavefunctions using information-theory measures

Physics letters. A, 2009-08, Vol.373 (36), p.3277-3280

2009

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Multiconfiguration electron density function for the ATSP2K-package

Computer physics communications, 2010-02, Vol.181 (2), p.426-439

2010

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Complexity of Dirac–Fock atom increases with atomic number

Chemical physics letters, 2007-08, Vol.444 (1), p.186-191

2007

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Electron density and Fisher information of Dirac–Fock atoms

Physics letters. A, 2008-07, Vol.372 (31), p.5106-5109

2008

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Characterization of the Chandrasekhar correlated two-electron wavefunction using Fisher, Shannon and statistical complexity information measures

Physics letters. A, 2008-10, Vol.372 (42), p.6321-6324

2008

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Quantum similarity study of atoms: A bridge between hardnessand similarity indices

The Journal of chemical physics, 2007-06, Vol.126 (23), p.234104-234104-9

2007

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Investigation of the influence of confinement effect on regioselectivity as probed by the Fukui function

AIP conference proceedings, 2008-09, Vol.1148, p.41-44

2008

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

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (3), p.911-922

2011

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

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (41), p.2352-23521

2020

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Time-resolved THz Stark spectroscopy of molecules in solution

Nature communications, 2024-05, Vol.15 (1), p.4212-4212, Article 4212

2024

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

The Journal of chemical physics, 2014-09, Vol.141 (9), p.094104-094104

2014

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

Journal of chemical theory and computation, 2017-09, Vol.13 (9), p.4089-4100

2017

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Density Scaling of Noninteracting Kinetic Energy Functionals

Journal of chemical theory and computation, 2013-05, Vol.9 (5), p.2250-2255

2013

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

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (28), p.18834-18842

2015

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Kohn-Sham energy decomposition for molecules in a magnetic field

Molecular physics, 2019-01, Vol.117 (1), p.97-109

2019

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

Journal of chemical theory and computation, 2014-12, Vol.10 (12), p.5338-5345

2014

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Negative Electron Affinities from DFT: Influence of Asymptotic Exchange-Correlation Potential and Effective Homogeneity under Density Scaling

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-06, Vol.116 (22), p.5497-5500

2012

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Revisiting the density scaling of the non-interacting kinetic energy

Physical chemistry chemical physics : PCCP, 2014-07, Vol.16 (28), p.14578-14583

2014

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

The Journal of chemical physics, 2012-01, Vol.136 (3), p.034101-034101-6

2012

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Defining statistical relative complexity measure: Application to diversity in atoms

Influence of confinement on atomic and molecular reactivity indicators in DFT

Quantum similarity study of atomic density functions:Insights from information theory and the role of relativistic effects

Quantum similarity study of atoms: a bridge between hardness and similarity indices

Quantum similarity of atoms: a numerical Hartree–Fock and Information Theory approach

N-derivative of Shannon entropy of shape function for atoms

Comparative characterization of two-electron wavefunctions using information-theory measures

Multiconfiguration electron density function for the ATSP2K-package

Complexity of Dirac–Fock atom increases with atomic number

Electron density and Fisher information of Dirac–Fock atoms

Characterization of the Chandrasekhar correlated two-electron wavefunction using Fisher, Shannon and statistical complexity information measures

Quantum similarity study of atoms: A bridge between hardnessand similarity indices

Investigation of the influence of confinement effect on regioselectivity as probed by the Fukui function

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

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

Time-resolved THz Stark spectroscopy of molecules in solution

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

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

Density Scaling of Noninteracting Kinetic Energy Functionals

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

Kohn-Sham energy decomposition for molecules in a magnetic field

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

Negative Electron Affinities from DFT: Influence of Asymptotic Exchange-Correlation Potential and Effective Homogeneity under Density Scaling

Revisiting the density scaling of the non-interacting kinetic energy

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

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