André Severo Pereira Gomes

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Université de Lille

France

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Recent Grants

Grant: Close

CHEmistry, Spectroscopy and Speciation of protactinium – CHESS

Open Date: 2021-12-20

Close Date: 2025-12-19

Grant: Open

WaveTech - Ondes et Matières pour le "deep tech"

Open Date: 2021-01-01

Close Date: 2029-01-01

Grant: Close

CompRIXS-Calcul de la diffusion inélastique résonante de rayons X pour toute la classification périodique

Open Date: 2019-12-01

Close Date: 2023-10-01

Grant: Close

MESONM International Associated Laboratory (LAI)

Open Date: 2019-04-01

Close Date: 2023-03-01

Grant: Close

Towards an accurate theoretical description of environment effects on the electronic spectra of actinides in condensed phase

Open Date: 2014-01-01

Close Date: 2016-12-01

Articles (10)

The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems

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Year:

2023

Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations

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Year:

2023

How Does Bending the Uranyl Unit Influence Its Spectroscopy and Luminescence?

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Year:

2023

Theoretical study of the I++I− mutual neutralization reaction

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Year:

2023

Final-state-resolved mutual neutralization in I+ - I− collisions

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Year:

2022

Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

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Year:

2022

Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations

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Year:

2022

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

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Year:

2022

Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches

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Year:

2022

Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution via relativistic quantum embedding calculations

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Year:

2022

Collaborators (5)

Richard Thomas

Stockholm University

SWEDEN

Leonardo Belpassi

Università degli Studi di Napoli Federico II

ITALY

Henning Schmidt

Professor

Stockholm University

SWEDEN

Celine TOUBIN

Professor

FRANCE

Henning Zettergren

Stockholm University

SWEDEN

André Severo Pereira Gomes

Research Interests

Explore related searches

Contact this professor

Recent Grants

Articles (10)

The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems

Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations

How Does Bending the Uranyl Unit Influence Its Spectroscopy and Luminescence?

Theoretical study of the I++I− mutual neutralization reaction

Final-state-resolved mutual neutralization in I+ - I− collisions

Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches

Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution via relativistic quantum embedding calculations

Collaborators (5)

Richard Thomas

Leonardo Belpassi

Henning Schmidt

Celine TOUBIN

Henning Zettergren

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