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David Tew
David Tew
在 chem.ox.ac.uk 的电子邮件经过验证
标题
引用次数
引用次数
年份
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai, DP Tew, NC Handy
Chemical physics letters 393 (1-3), 51-57, 2004
137102004
The D alton 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
1440*2014
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 2020
8002020
Explicitly correlated electrons in molecules
C Hattig, W Klopper, A Kohn, DP Tew
Chemical reviews 112 (1), 4-74, 2012
5552012
Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12
C Hättig, DP Tew, A Köhn
The Journal of chemical physics 132 (23), 2010
3182010
Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets
DP Tew, W Klopper, C Neiss, C Hättig
Physical Chemistry Chemical Physics 9 (16), 1921-1930, 2007
2882007
New correlation factors for explicitly correlated electronic wave functions
DP Tew, W Klopper
The Journal of chemical physics 123 (7), 2005
2882005
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
M Heckert, M Kállay, DP Tew, W Klopper, J Gauss
The Journal of chemical physics 125 (4), 2006
2802006
Quantitative quantum chemistry
T Helgaker, W Klopper, DP Tew
Molecular Physics 106 (16-18), 2107-2143, 2008
2762008
Simulating the vibrational quantum dynamics of molecules using photonics
C Sparrow, E Martín-López, N Maraviglia, A Neville, C Harrold, J Carolan, ...
Nature 557 (7707), 660-667, 2018
2452018
Witnessing eigenstates for quantum simulation of Hamiltonian spectra
R Santagati, J Wang, AA Gentile, S Paesani, N Wiebe, JR McClean, ...
Science advances 4 (1), eaap9646, 2018
2172018
Experimental Bayesian quantum phase estimation on a silicon photonic chip
S Paesani, AA Gentile, R Santagati, J Wang, N Wiebe, DP Tew, ...
Physical review letters 118 (10), 100503, 2017
2072017
Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface
Y Wang, BJ Braams, JM Bowman, S Carter, DP Tew
The Journal of chemical physics 128 (22), 2008
1842008
Electron correlation: The manybody problem at the heart of chemistry
DP Tew, W Klopper, T Helgaker
Journal of computational chemistry 28 (8), 1307-1320, 2007
1342007
A diagonal orbital-invariant explicitly-correlated coupled-cluster method
DP Tew, W Klopper, C Hättig
Chemical Physics Letters 452 (4-6), 326-332, 2008
1312008
The MP2F12 method in the TURBOMOLE program package
RA Bachorz, FA Bischoff, A Glöß, C Hättig, S Höfener, W Klopper, DP Tew
Journal of Computational Chemistry 32 (11), 2492-2513, 2011
1182011
Basis set limit CCSD (T) harmonic vibrational frequencies
DP Tew, W Klopper, M Heckert, J Gauss
The Journal of Physical Chemistry A 111 (44), 11242-11248, 2007
1172007
Criegee intermediate reactions with carboxylic acids: A potential source of secondary organic aerosol in the atmosphere
R Chhantyal-Pun, B Rotavera, MR McGillen, MAH Khan, AJ Eskola, ...
ACS Earth and Space Chemistry 2 (8), 833-842, 2018
1122018
Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems
G Schmitz, C Hättig, DP Tew
Physical Chemistry Chemical Physics 16 (40), 22167-22178, 2014
1112014
Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory
W Klopper, B Ruscic, DP Tew, FA Bischoff, S Wolfsegger
Chemical Physics 356 (1-3), 14-24, 2009
1112009
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