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T

Tom J. P. Irons

University of Nottingham

13H指数
31论文数
459被引数
收录论文 14
发表时间
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Ab initio investigation of the Cr substitutional defect in α-quartz for quantum applications从头计算研究α-石英中Cr替位缺陷在量子应用中的作用
errJournal of Applied Physics
IF2.5
err2025-12-14
err0
PREAI
errFilippatos, Petros-Panagis; Irons, Tom J. P.; Tsoukalas, Lefteri H.; Chroneos, Alexander
err分享
err收藏
Capturing the electron-electron cusp with the coupling-constant averaged exchange-correlation hole: A case study for Hooke's atoms用耦合常数平均交换相关孔捕获电子-电子尖端: 胡克原子的案例研究
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-01-05
err5
errOAAI
errHou, Lin; Irons, Tom J. P.; Wang, Yanyong; Furness, James W.; Wibowo-Teale, Andrew M.; Sun, Jianwei
err分享
err收藏
Magnetic optical rotation from real-time simulations in finite magnetic fields
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-29
err1
errOAAI
errOfstad, Benedicte Sverdrup; Wibowo-Teale, Meilani; Kristiansen, Hakon Emil; Aurbakken, Einar; Kitsaras, Marios Petros; Schoyen, Oyvind Sigmundson; Hauge, Eirill; Irons, Tom J. P.; Kvaal, Simen; Stopkowicz, Stella; Wibowo-Teale, Andrew M.; Pedersen, Thomas Bondo
err分享
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An Embedded Fragment Method for Molecules in Strong Magnetic Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-11-22
err5
errOAAI
errSpeake, Benjamin T.; Irons, Tom J. P.; Wibowo, Meilani; Johnson, Andrew G.; David, Gregoire; Teale, Andrew M.
err分享
err收藏
Exact constraints and appropriate norms in machine-learned exchange-correlation functionals机器学习的交换相关函数中的精确约束和适当规范
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-11-03
err8
errOAAI
errPokharel, Kanun; Furness, James W.; Yao, Yi; Blum, Volker; Irons, Tom J. P.; Teale, Andrew M.; Sun, Jianwei
err分享
err收藏
Revealing the exotic structure of molecules in strong magnetic fields
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-25
err13
errOAAI
errPemberton, Miles J.; Irons, Tom J. P.; Helgaker, Trygve; Teale, Andrew M.
err分享
err收藏
Extending conceptual DFT to include external variables: the influence of magnetic fields
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err11
errOAAI
errFrancotte, Robin; Irons, Tom J. P.; Teale, Andrew M.; de Proft, Frank; Geerlings, Paul
err分享
err收藏
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-08-16
err19
errOAAI
errDavid, Gregoire; Irons, Tom J. P.; Fouda, Adam E. A.; Furness, James W.; Teale, Andrew M.
err分享
err收藏
Optimizing Molecular Geometries in Strong Magnetic Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-03-16
err31
errOAAI
errIrons, Tom J. P.; David, Gregoire; Teale, Andrew M.
err分享
err收藏
Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-03-16
err25
errOAAI
errWibowo, Meilani; Irons, Tom J. P.; Teale, Andrew M.
err分享
err收藏
Challenges for large scale simulation: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err3
PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csanyi, Gabor; David, Gregoire; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-Francois; Mehta, Nisha; Mulay, Manasi R.; Neugebauer, Johannes; Pernal, Katarzyna; Pribram-Jones, Aurora; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Skylaris, Chris-Kriton; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao
err分享
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Connections between variation principles at the interface of wave-function and density-functional theories
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-10-03
err4
errOAAI
errIrons, Tom J. P.; Furness, James W.; Ryley, Matthew S.; Zemen, Jan; Helgaker, Trygve; Teale, Andrew M.
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err收藏
Efficient Calculation of Molecular Integrals over London Atomic Orbitals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-07-27
err43
errOAAI
errIrons, Tom J. P.; Zemen, Jan; Teale, Andrew M.
err分享
err收藏
Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-05-17
err40
errOAAI
errVuckovic, Stefan; Irons, Tom J. P.; Savin, Andreas; Teale, Andrew M.; Gori-Giorgi, Paola
err分享
err收藏

研究方向

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