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E

Emmanuel Giner

Sorbonne Université

17H指数
114论文数
1.2K被引数
收录论文 46
发表时间
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Prediction of the Aqueous Redox Properties of Functionalized Quinones Using a New QM/MM Variational Formulation利用一种新的QM/MM变分公式预测功能化醌类的水相氧化还原性质
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-18
err0
PREAI
errMaxime Labat; Guillaume Jeanmairet; Emmanuel Giner
err分享
err收藏
Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-04
err1
PREAI
errTenti, Lorenzo; Peeters, Stefan; Giner, Emmanuel; Angeli, Celestino
err分享
err收藏
Shortcut to chemically accurate quantum computing via density-based basis-set correction
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2024-11-18
err1
errOAAI
errTraore, Diata; Adjoua, Olivier; Feniou, Cesar; Lygatsika, Ioanna-Maria; Maday, Yvon; Posenitskiy, Evgeny; Hammernik, Kerstin; Peruzzo, Alberto; Toulouse, Julien; Giner, Emmanuel; Piquemal, Jean-Philip
err分享
err收藏
Compactification of determinant expansions via transcorrelation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-22
err2
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Loos, Pierre-Francois; Giner, Emmanuel
err分享
err收藏
Coupling molecular density functional theory with converged selected configuration interaction methods to study excited states in aqueous solution
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-03
err0
errOAAI
errLabat, Maxime; Giner, Emmanuel; Jeanmairet, Guillaume
err分享
err收藏
Production of positronium chloride: A study of the charge exchange reaction between Ps and Cl-
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-08
err0
errOAAI
errLeveque-Simon, K.; Camper, A.; Taieb, R.; Caillat, J.; Leveque, C.; Giner, E.
err分享
err收藏
A density-fitting implementation of the density-based basis-set correction method基于密度的基集校正方法的密度拟合实现
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-02-13
err5
errOAAI
errHesselmann, Andreas; Giner, Emmanuel; Reinhardt, Peter; Knowles, Peter J.; Werner, Hans-Joachim; Toulouse, Julien
err分享
err收藏
Novel perturbative and variational methods for stronger correlations: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAbraham, Vibin; Atalar, Kemal; Berard, Kenneth O.; Booth, George H.; Burton, Hugh G. A.; Chan, Garnet K. -L.; Evangelista, Francesco A.; Filip, Maria-Andreea; Giner, Emmanuel; Gunasekera, Alexander; Knowles, Peter J.; Lepetit, Marie-Bernadette; Liao, Ke; Loos, Pierre-Francois; Magnusson, Erika; Mayhall, Nicholas J.; Mejuto-Zaera, Carlos; Neese, Frank; Neufeld, Verena A.; Ntola, Pinkie; Plasser, Felix; Ravindran, Visagan; Schilling, Christian; Scuseria, Gustavo; Shee, James; Shi, Benjamin X.; Tew, David P.; Thom, Alex J. W.; Wang, Zikuan; Zgid, Dominika
err分享
err收藏
Stochastic and low-scaling techniques: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAlavi, Ali; Allen, Marcus; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Burton, Hugh G. A.; Chan, Garnet Kin-Lic; Craciunescu, Luca; Danilov, Don; Dobrautz, Werner; Evangelista, Francesco A.; Filip, Maria-Andreea; Giner, Emmanuel; Greene-Diniz, Gabriel; Gruneis, Andreas; Guo, Yang; Harsha, Gaurav; Ibrahim, Basil; Kapil, Venkat; Kats, Daniel; Knowles, Peter J.; Lepetit, Marie-Bernadette; Liao, Ke; Li Manni, Giovanni; Loos, Pierre-Francois; Magnusson, Erika; Marie, Antoine; Mejuto-Zaera, Carlos; Neese, Frank; Nejad, Arman; Neufeld, Verena A.; Pernal, Katarzyna; Plasser, Felix; Prentice, Andrew W.; Ravindran, Visagan; Rehman, Umatur; Reiher, Markus; Schilling, Christian; Scuseria, Gustavo; Shee, James; Shi, Benjamin X.; Szenes, Kalman; Tew, David P.; Thom, Alex J. W.; Wang, Zikuan; Zgid, Dominika; Zhu, Andrew; Zwijnenburg, Martijn A.
err分享
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Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method使用基于密度的基集校正方法加速耦合簇激发能的基集收敛
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
errOAAI
errTraore, Diata; Toulouse, Julien; Giner, Emmanuel
err分享
err收藏
Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-09
err0
errOAAI
errFerte, Anthony; Giner, Emmanuel; Taieb, Richard; Carniato, Stephane
err分享
err收藏
Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-21
err4
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Giner, Emmanuel
err分享
err收藏
Overlap-ADAPT-VQE: practical quantum chemistry on quantum computers via overlap-guided compact Ansatze
errCOMMUNICATIONS PHYSICS
IF5.8
err2023-07-29
err20
errOAAI
errFeniou, Cesar; Hassan, Muhammad; Traore, Diata; Giner, Emmanuel; Maday, Yvon; Piquemal, Jean-Philip
err分享
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Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-30
err8
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Giner, Emmanuel
err分享
err收藏
Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-20
err9
errOAAI
errTraore, Diata; Giner, Emmanuel; Toulouse, Julien
err分享
err收藏
Diffusion Monte Carlo using domains in configuration space
errPHYSICAL REVIEW B
IF3.7
err2023-01-18
err0
errOAAI
errAssaraf, Roland; Giner, Emmanuel; Chilkuri, Vijay Gopal; Loos, Pierre-Francois; Scemama, Anthony; Caffarel, Michel
err分享
err收藏
Extension of selected configuration interaction for transcorrelated methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-07
err15
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Giner, Emmanuel
err分享
err收藏
Optimization of Large Determinant Expansions in Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-23
err11
errOAAI
errAmmar, Abdallah; Giner, Emmanuel; Scemama, Anthony
err分享
err收藏
A missing link in the nitrogen-rich organic chain on Titan
errASTRONOMY & ASTROPHYSICS
IF5.8
err2022-07-28
err1
errOAAI
errCarrasco, N.; Bourgalais, J.; Vettier, L.; Pernot, P.; Giner, E.; Spezia, R.
err分享
err收藏
Performance of a one-parameter correlation factor for transcorrelation: Study on a series of second row atomic and molecular systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-17
err13
errOAAI
errDobrautz, Werner; Cohen, Aron J.; Alavi, Ali; Giner, Emmanuel
err分享
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研究方向

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合作学者
合作期刊
F
Frank Neese
H 指数: 141 · 论文数: 978
G
Gustavo E. Scuseria
H 指数: 125 · 论文数: 748
M
Markus Reiher
H 指数: 82 · 论文数: 663
G
Garnet Kin‐Lic Chan
H 指数: 67 · 论文数: 351
Y
Yvon Maday
H 指数: 60 · 论文数: 392
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