logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
A

André Severo Pereira Gomes

univ. lille and cnrs

26H指数
201论文数
2.2K被引数
收录论文 29
发表时间
logo
Environmental Effects via Frozen Density Embedding in Real-Time Time-Dependent Dirac–Kohn–Sham Theory: Solvation of Lead Halides通过冻结密度嵌入在实时含时Dirac–Kohn–Sham理论中的环境效应：卤化铅的溶剂化
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-23
err0
errOAAI
errMatteo De Santis; Edoardo Mosconi; Leonardo Pacifici; Valérie Vallet; André Severo Pereira Gomes; Loriano Storchi; Leonardo Belpassi
err分享
err收藏
A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory相对论耦合簇理论与方程运动耦合簇二次响应理论的比较
errThe Journal of Physical Chemistry A
IF2.8
err2025-12-04
err0
PREAI
errXiang Yuan; Loïc Halbert; Lucas Visscher; André Severo Pereira Gomes
err分享
err收藏
Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry
errINORGANIC CHEMISTRY
IF4.7
err2025-10-01
err0
PREAI
errMisael, Wilken Aldair; Amidani, Lucia; Marz, Juliane; Bazarkina, Elena F.; Kvashnina, Kristina O.; Vallet, Valerie; Gomes, Andre Severo Pereira
err分享
err收藏
Interoperable workflows by exchanging grid-based data between quantum-chemical program packages
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-30
err3
errOAAI
errFocke, Kevin; De Santis, Matteo; Wolter, Mario; Martinez, Jessica A. B.; Vallet, Valerie; Pereira Gomes, Andre Severo; Olejniczak, Malgorzata; Jacob, Christoph R.
err分享
err收藏
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-09
err3
errOAAI
errYuan, Xiang; Halbert, Loic; Pototschnig, Johann Valentin; Papadopoulos, Anastasios; Coriani, Sonia; Visscher, Lucas; Gomes, Andre Severo Pereira
err分享
err收藏
Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-11
err1
errOAAI
errYuan, Xiang; Halbert, Loic; Visscher, Lucas; Gomes, Andre Severo Pereira
err分享
err收藏
Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations
errINORGANIC CHEMISTRY
IF4.7
err2023-07-11
err5
errOAAI
errMisael, Wilken Aldair; Gomes, Andreï Severo Pereira
err分享
err收藏
Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn-Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-29
err4
errOAAI
errDe Santis, Matteo; Sorbelli, Diego; Vallet, Valerie; Gomes, Andre Severo Pereira; Storchi, Loriano; Belpassi, Leonardo
err分享
err收藏
Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-08-19
err3
errOAAI
errYuan, Xiang; Gomes, Andre Severo Pereira
err分享
err收藏
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-09
err8
errOAAI
errYuan, Xiang; Visscher, Lucas; Gomes, Andre Severo Pereira
err分享
err收藏
Environment Effects on X-Ray Absorption Spectra With Quantum Embedded Real-Time Time-Dependent Density Functional Theory Approaches量子嵌入实时时间相关密度泛函理论方法对x射线吸收谱的环境影响
errFRONTIERS IN CHEMISTRY
IF4.2
err2022-02-28
err3
errOAAI
errDe Santis, Matteo; Vallet, Valerie; Gomes, Andre Severo Pereira
err分享
err收藏
Uranium(IV) alkyl cations: synthesis, structures, comparison with thorium(IV) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err8
errOAAI
errAndreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valerie; Gomes, Andre S. P.; Real, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.
err分享
err收藏
Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-08-09
err17
errOAAI
errPototschnig, Johann, V; Papadopoulos, Anastasios; Lyakh, Dmitry, I; Repisky, Michal; Halbert, Loic; Gomes, Andre Severo Pereira; Jensen, Hans Jorgen Aa; Visscher, Lucas
err分享
err收藏
Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac-Coulomb(-Gaunt) Hamiltonian
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-04
err38
errOAAI
errHalbert, Loic; Vidal, Marta L.; Shee, Avijit; Coriani, Sonia; Gomes, Andre Severo Pereira
err分享
err收藏
Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-07-27
err14
errOAAI
errDe Santis, Matteo; Belpassi, Leonardo; Jacob, Christoph R.; Gomes, Andre Severo Pereira; Tarantelli, Francesco; Visscher, Lucas; Storchi, Loriano
err分享
err收藏
The DIRAC code for relativistic molecular calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-26
err252
errOAAI
errSaue, Trond; Bast, Radovan; Gomes, Andre Severo Pereira; Jensen, Hans Jorgen Aa; Visscher, Lucas; Aucar, Ignacio Agustin; Di Remigio, Roberto; Dyall, Kenneth G.; Eliav, Ephraim; Fasshauer, Elke; Fleig, Timo; Halbert, Loic; Hedegard, Erik Donovan; Helmich-Paris, Benjamin; Ilias, Miroslav; Jacob, Christoph R.; Knecht, Stefan; Laerdahl, Jon K.; Vidal, Marta L.; Nayak, Malaya K.; Olejniczak, Malgorzata; Olsen, Jogvan Magnus Haugaard; Pernpointner, Markus; Senjean, Bruno; Shee, Avijit; Sunaga, Ayaki; van Stralen, Joost N. P.
err分享
err收藏
Accurate Predictions of Volatile Plutonium Thermodynamic Properties
errINORGANIC CHEMISTRY
IF4.7
err2019-10-14
err9
errOAAI
errKervazo, Sophie; Real, Florent; Virot, Francois; Gomes, Andre Severo Pereira; Vallet, Valerie
err分享
err收藏
Equation-of-motion coupled-cluster theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-11-07
err70
errOAAI
errShee, Avijit; Saue, Trond; Visscher, Lucas; Gomes, Andre Severo Pereira
err分享
err收藏
Structural, dynamical, and transport properties of the hydrated halides: How do At- bulk properties compare with those of the other halides, from F- to I-?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-03-28
err28
PREAI
errReal, Florent; Gomes, Andre Severo Pereira; Martinez, Yansel Omar Guerrero; Ayed, Tahra; Galland, Nicolas; Masella, Michel; Vallet, Valerie
err分享
err收藏
Effective bond orders from two-step spin-orbit coupling approaches: The I2, At2, IO+, and AtO+ case studies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-03-04
err28
errOAAI
errMaurice, Remi; Real, Florent; Gomes, Andre Severo Pereira; Vallet, Valerie; Montavon, Gilles; Galland, Nicolas
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
P
Paul W. Ayers
H 指数: 76 · 论文数: 518
H
Hans Jørgen Aa. Jensen
H 指数: 61 · 论文数: 227
I
Ivan Infante
H 指数: 61 · 论文数: 229
L
Lucas Visscher
H 指数: 60 · 论文数: 279
F
Francesco Tarantelli
H 指数: 51 · 论文数: 269
查看更多