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On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

Journal of chemical theory and computation, 2013-07, Vol.9 (7), p.3118-3126

2013

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Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy

The Journal of chemical physics, 2014-03, Vol.140 (10), p.104101-104101

2014

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Communication: one third: a new recipe for the PBE0 paradigm

The Journal of chemical physics, 2013-01, Vol.138 (2), p.021104-021104

2013

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Stability of the different AlOOH phases under pressure

Journal of physics. Condensed matter, 2016-05, Vol.28 (18), p.185401-185401

2016

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Classical to quantum transition of heat transfer between two silica clusters

Physical review letters, 2014-03, Vol.112 (11), p.114301-114301, Article 114301

2014

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Hydrogen bond symmetrization and elastic constants under pressure of δ-AlOOH

Journal of physics. Condensed matter, 2017-08, Vol.29 (32), p.325505-325505

Cortona, Pietro

2017

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Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems

Computational materials science, 2023-01, Vol.216, p.111826, Article 111826

2023

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Effect of Pressure on Cesium Iodide Band Gap

物理化学学报, 2018-01, Vol.34 (2), p.208-212

2018

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Note: Theoretical mixing coefficients for hybrid functionals

The Journal of chemical physics, 2012-02, Vol.136 (8), p.086101-086101-2

Cortona, Pietro

2012

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Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Computation, 2018-03, Vol.6 (1), p.7

2018

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Effect of Pressure on Cesium lodide Band Gap

物理化学学报, 2018, Vol.34 (2), p.208-212

2018

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Dispersion corrections applied to the TCA family of exchange-correlation functionals

Theoretical chemistry accounts, 2017-08, Vol.136 (8), p.1-11, Article 88

2017

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Semiclassical atom theory applied to solid-state physics

Physical review. B, 2016-01, Vol.93 (4), Article 045126

2016

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Pietro da Cortona and Roman Baroque architecture

2008

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No state, no democracy. State fragility and democratizations in the third wave

Italian Political Science Review, 2012-04, Vol.42 (1), p.59-91

2012

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An ab-initio study of the rôle of lone pairs in the structure and insulator–metal transition in SnO and PbO

Solid state sciences, 2002-04, Vol.4 (4), p.467-474

2002

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Large thermal conductivity decrease in point defective Bi2Te3 bulk materials and superlattices

Journal of applied physics, 2013-01, Vol.113 (1)

2013

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Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response

Journal of chemical theory and computation, 2015-01, Vol.11 (1), p.122-131

2015

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Theoretical study of electron-induced vibrational excitation of NO 2

Plasma sources science & technology, 2019-10, Vol.28 (10), p.105017

2019

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Theoretical study of electron-induced vibrational excitation of NO2

Plasma sources science & technology, 2019-10, Vol.28 (10)

2019

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A new parameter-free correlation functional based on an average atomic reduced density gradient analysis

The Journal of chemical physics, 2008-01, Vol.128 (3), p.034101-034101-8

2008

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Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact

Journal of physics. Conference series, 2020-01, Vol.1412 (17), p.172002

2020

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Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-11, Vol.113 (44), p.12322-12327

2009

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Cross sections for vibronic excitation of CH + by low-energy electron impact

Physical review. A, 2019-12, Vol.100 (6), Article 062711

2019

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Ab initio calculations of ideal and defective bismuth telluride nanotubes

Physica Status Solidi. B: Basic Solid State Physics, 2015-03, Vol.252 (3), p.517-520

2015

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On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy

Communication: one third: a new recipe for the PBE0 paradigm

Stability of the different AlOOH phases under pressure

Classical to quantum transition of heat transfer between two silica clusters

Hydrogen bond symmetrization and elastic constants under pressure of δ-AlOOH

Seeking widely applicable dispersion-corrected GGA functionals: The performances of TCA+D3 and RevTCA+D3 on solid-state systems

Effect of Pressure on Cesium Iodide Band Gap

Note: Theoretical mixing coefficients for hybrid functionals

Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Effect of Pressure on Cesium lodide Band Gap

Dispersion corrections applied to the TCA family of exchange-correlation functionals

Semiclassical atom theory applied to solid-state physics

Pietro da Cortona and Roman Baroque architecture

No state, no democracy. State fragility and democratizations in the third wave

An ab-initio study of the rôle of lone pairs in the structure and insulator–metal transition in SnO and PbO

Large thermal conductivity decrease in point defective Bi2Te3 bulk materials and superlattices

Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response

Theoretical study of electron-induced vibrational excitation of NO 2

Theoretical study of electron-induced vibrational excitation of NO2

A new parameter-free correlation functional based on an average atomic reduced density gradient analysis

Theoretical study of vibrational excitation and dissociative electron attachment of NO 2 by an electron impact

Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex

Cross sections for vibronic excitation of CH + by low-energy electron impact

Ab initio calculations of ideal and defective bismuth telluride nanotubes

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