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 | 14374 | 2004 |
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 | 1493* | 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 | 930 | 2020 |
Explicitly correlated electrons in molecules C Hattig, W Klopper, A Kohn, DP Tew Chemical reviews 112 (1), 4-74, 2012 | 575 | 2012 |
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 | 330 | 2010 |
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 | 293 | 2007 |
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 | 288 | 2006 |
New correlation factors for explicitly correlated electronic wave functions DP Tew, W Klopper The Journal of chemical physics 123 (7), 2005 | 288 | 2005 |
Quantitative quantum chemistry T Helgaker, W Klopper, DP Tew Molecular Physics 106 (16-18), 2107-2143, 2008 | 287 | 2008 |
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 | 263 | 2018 |
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 | 240 | 2018 |
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 | 228 | 2017 |
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 | 192 | 2008 |
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 | 143 | 2007 |
A diagonal orbital-invariant explicitly-correlated coupled-cluster method DP Tew, W Klopper, C Hättig Chemical Physics Letters 452 (4-6), 326-332, 2008 | 132 | 2008 |
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 | 123 | 2011 |
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 | 120 | 2018 |
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 | 120 | 2007 |
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 | 114 | 2014 |
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 | 114 | 2009 |