Tim Gould

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john dobsonEmeritus Professor of physics at Griffith UniversityVerified email at griffith.edu.au
sebastien lebegueCNRSVerified email at univ-lorraine.fr
János G. ÁngyánCRM2 CNRS & Université de LorraineVerified email at univ-lorraine.fr
Stefano PittalisInstitute of Nanoscience, National Research CouncilVerified email at nano.cnr.it
Tomas BuckoComenius university in Bratislava, Slovak academy of sciencesVerified email at uniba.sk
Leeor KronikWeizmann Institute of ScienceVerified email at weizmann.ac.il
Shanqing ZhangGriffith UniversityVerified email at griffith.edu.au
Evan GrayGriffith UniversityVerified email at griffith.edu.au
Huijun ZhaoGriffith UniversityVerified email at griffith.edu.au
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerified email at univie.ac.at
Julien ToulouseLaboratoire de Chimie Théorique, Sorbonne Université & CNRS, IUF, Paris, FranceVerified email at lct.jussieu.fr
Dario RoccaQC Ware CorporationVerified email at qcware.com
Sherif Abdulkader Tawfik (Abbas) | شر...Deakin UniversityVerified email at deakin.edu.au
Yun WangGriffith UniversityVerified email at griffith.edu.au
Xiangdong YaoProfessor of Sun Yat-sen UniversityVerified email at mail.sysu.edu.cn
Won June KimAssistant Professor, Department of Biology and Chemistry, Changwon National UniversityVerified email at changwon.ac.kr
Anant DixitUniversité de LorraineVerified email at univ-lorraine.fr
Hao ChenGuangdong University of Technology; Queensland University of Technology; Griffith UniversityVerified email at gdut.edu.cn
Colin (Jim) WebbAssoc. Prof. Griffith University, AdjunctVerified email at griffith.edu.au
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHHVerified email at mpsd.mpg.de

Tim Gould

Griffith University

Verified email at griffith.edu.au - Homepage

chemical physics material science electronic structure theory quantum theory applied mathematics


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Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation S Lebègue, J Harl, T Gould, JG Ángyán, G Kresse, JF Dobson Physical review letters 105 (19), 196401, 2010	412	2010
Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3 Y Wang, T Gould, JF Dobson, H Zhang, H Yang, X Yao, H Zhao Phys. Chem. Chem. Phys. 16 (4), 1424-1429, 2014	353	2014
Calculation of dispersion energies JF Dobson, T Gould J. Phys.: Condens. Matter 24 (073201), 073201, 2012	262	2012
Prediction of dispersion forces: is there a problem? JF Dobson, K McLennan, A Rubio, J Wang, T Gould, HM Le, BP Dinte Australian journal of chemistry 54 (8), 513-527, 2002	190	2002
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation T Bučko, S Lebègue, T Gould, JG Ángyán Journal of Physics: Condensed Matter 28 (4), 045201, 2016	119	2016
Hierarchical Co₃O₄@N-Doped Carbon Composite as an Advanced Anode Material for Ultrastable Potassium Storage D Adekoya, H Chen, HY Hoh, T Gould, MSJT Balogun, C Lai, H Zhao, ... ACS nano 14 (4), 5027-5035, 2020	115	2020
A fractionally ionic approach to polarizability and van der Waals many-body dispersion calculations T Gould, S Lebègue, JG Ángyán, T Bučko Journal of Chemical Theory and Computation 12, 5920–5930, 2016	98	2016
Evaluation of van der Waals density functionals for layered materials SA Tawfik, T Gould, C Stampfl, MJ Ford Physical Review Materials 2 (3), 034005, 2018	84	2018
C₆ Coefficients and Dipole Polarizabilities for All Atoms and Many Ions in Rows 1–6 of the Periodic Table T Gould, T Bucko Journal of chemical theory and computation 12 (8), 3603-3613, 2016	80	2016
Correlation energies of inhomogeneous many-electron systems JF Dobson, J Wang, T Gould Physical Review B 66 (8), 081108, 2002	72	2002
Hartree and exchange in ensemble density functional theory: Avoiding the nonuniqueness disaster T Gould, S Pittalis Physical review letters 119 (24), 243001, 2017	62	2017
How many-body effects modify the van der waals interaction between graphene sheets JF Dobson, T Gould, G Vignale Physical Review X 4 (2), 021040, 2014	62	2014
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022	55	2022
Locality of correlation in density functional theory K Burke, A Cancio, T Gould, S Pittalis The Journal of chemical physics 145 (5), 2016	51*	2016
Kohn-Sham potentials in exact density-functional theory at noninteger electron numbers T Gould, J Toulouse Physical Review A 90 (5), 050502, 2014	50	2014
The flexible nature of exchange, correlation, and Hartree physics: Resolving “delocalization” errors in a “correlation free” density functional T Gould, JF Dobson The Journal of Chemical Physics 138 (1), 2013	50	2013
Dispersion corrections in graphenic systems: a simple and effective model of binding T Gould, S Lebègue, JF Dobson Journal of Physics: Condensed Matter 25 (44), 445010, 2013	48	2013
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions J Claudot, WJ Kim, A Dixit, H Kim, T Gould, D Rocca, S Lebègue The Journal of chemical physics 148 (6), 2018	45	2018
Density-driven correlations in many-electron ensembles: theory and application for excited states T Gould, S Pittalis Physical Review Letters 123, 016401, 2019	43	2019
Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory T Gould, L Kronik, S Pittalis The Journal of Chemical Physics 148, 174101, 2018	41	2018

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