دنبال کردن
Andrew M. Wibowo-Teale
Andrew M. Wibowo-Teale
Professor, University of Nottingham
ایمیل تأیید شده در nottingham.ac.uk - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
The Dalton quantum chemistry program system‏
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...‏
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014‏
14882014
Benchmarking density-functional theory calculations of NMR shielding constants and spin–rotation constants using accurate coupled-cluster calculations‏
AM Teale, OB Lutnæs, T Helgaker, DJ Tozer, J Gauss‏
The Journal of chemical physics 138 (2), 024111, 2013‏
1892013
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
1842022
Orbital energies and negative electron affinities from density functional theory: insight from the integer discontinuity‏
AM Teale, F De Proft, DJ Tozer‏
The Journal of chemical physics 129 (4), 044110, 2008‏
1362008
Accurate calculation and modeling of the adiabatic connection in density functional theory‏
AM Teale, S Coriani, T Helgaker‏
The Journal of chemical physics 132 (16), 164115, 2010‏
1212010
The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems‏
AM Teale, S Coriani, T Helgaker‏
The Journal of chemical physics 130 (10), 104111, 2009‏
952009
Current density functional theory using meta-generalized gradient exchange-correlation functionals‏
JW Furness, J Verbeke, EI Tellgren, S Stopkowicz, U Ekström, ...‏
Journal of chemical theory and computation 11 (9), 4169-4181, 2015‏
942015
Non-perturbative calculation of molecular magnetic properties within current-density functional theory‏
EI Tellgren, AM Teale, JW Furness, KK Lange, U Ekström, T Helgaker‏
The Journal of chemical physics 140 (3), 034101, 2014‏
922014
Differentiable but exact formulation of density-functional theory‏
S Kvaal, U Ekström, AM Teale, T Helgaker‏
The Journal of chemical physics 140 (18), 18A518, 2014‏
772014
Choice of basic variables in current-density-functional theory‏
EI Tellgren, S Kvaal, E Sagvolden, U Ekström, AM Teale, T Helgaker‏
Physical Review A 86 (6), 062506, 2012‏
732012
Exchange representations in Kohn–Sham NMR shielding calculations‏
AM Teale, DJ Tozer‏
Chemical physics letters 383 (1-2), 109-114, 2004‏
712004
Benchmarking density-functional-theory calculations of rotational tensors and magnetizabilities using accurate coupled-cluster calculations‏
OB Lutnæs, AM Teale, T Helgaker, DJ Tozer, K Ruud, J Gauss‏
The Journal of chemical physics 131 (14), 144104, 2009‏
692009
Communication: Analytic gradients in the random-phase approximation‏
J Rekkedal, S Coriani, MF Iozzi, AM Teale, T Helgaker, TB Pedersen‏
The Journal of chemical physics 139 (8), 081101, 2013‏
602013
Exchange–correlation functionals via local interpolation along the adiabatic connection‏
S Vuckovic, TJP Irons, A Savin, AM Teale, P Gori-Giorgi‏
Journal of chemical theory and computation 12 (6), 2598-2610, 2016‏
582016
Maps of current density using density-functional methods‏
A Soncini, AM Teale, T Helgaker, F De Proft, DJ Tozer‏
The Journal of chemical physics 129 (7), 074101, 2008‏
562008
Fractional electron loss in approximate DFT and Hartree–Fock theory‏
MJG Peach, AM Teale, T Helgaker, DJ Tozer‏
Journal of chemical theory and computation 11 (11), 5262-5268, 2015‏
542015
Efficient calculation of molecular integrals over London atomic orbitals‏
TJP Irons, J Zemen, AM Teale‏
Journal of chemical theory and computation 13 (8), 3636-3649, 2017‏
532017
Spin flipping in ring-coupled-cluster-doubles theory‏
W Klopper, AM Teale, S Coriani, TB Pedersen, T Helgaker‏
Chemical Physics Letters 510 (1-3), 147-153, 2011‏
532011
Analyzing magnetically induced currents in molecular systems using current-density-functional theory‏
TJP Irons, L Spence, G David, BT Speake, T Helgaker, AM Teale‏
The Journal of Physical Chemistry A 124 (7), 1321-1333, 2020‏
492020
The importance of current contributions to shielding constants in density-functional theory‏
S Reimann, U Ekström, S Stopkowicz, AM Teale, A Borgoo, T Helgaker‏
Physical Chemistry Chemical Physics 17 (28), 18834-18842, 2015‏
492015
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20