Publications by authors named "David P Tew"

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D
DLPNO-MP2 for periodic systems. II. Megacell embedding.
Andrew Zhu, Arman Nejad, Poramas Komonvasee, Kesha Sorathia, David P Tew

J Chem Phys· December 2025

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DLPNO-MP2 for periodic systems. I. Periodic boundary conditions.
Arman Nejad, Andrew Zhu, Kesha Sorathia, David P Tew

J Chem Phys· December 2025

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Multi-reference coupled cluster theory using the normal ordered exponential ansatz.
Alexander D Gunasekera, Nicholas Lee, David P Tew

Faraday Discuss· November 2024

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Novel perturbative and variational methods for stronger correlations: general discussion.
Vibin Abraham, Kemal Atalar, Kenneth O Berard, George H Booth, Hugh G A Burton, David P Tew

Faraday Discuss· November 2024

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Correlation in extended systems: general discussion.
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, George H Booth, Garnet Kin-Lic Chan, David P Tew

Faraday Discuss· November 2024

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Stochastic and low-scaling techniques: general discussion.
Ali Alavi, Marcus Allen, Kemal Atalar, Timothy C Berkelbach, George H Booth, David P Tew

Faraday Discuss· November 2024

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Wannier Function Localization Using Bloch Intrinsic Atomic Orbitals.
Andrew Zhu, David P Tew

J Phys Chem A· October 2024

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I
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets.
Kesha Sorathia, Damyan Frantzov, David P Tew

J Chem Theory Comput· April 2024

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Continuous-wave cavity ringdown for high-sensitivity polarimetry and magnetometry measurements.
Dang-Bao-An Tran, Evan G P Edwards, David P Tew, Robert Peverall, Grant A D Ritchie

J Chem Phys· February 2024

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TURBOMOLE: Today and Tomorrow.
Yannick J Franzke, Christof Holzer, Josefine H Andersen, Tomislav Begušić, Florian Bruder, David P Tew

J Chem Theory Comput· October 2023

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A Regularized Second-Order Correlation Method from Green's Function Theory.
Christopher J N Coveney, David P Tew

J Chem Theory Comput· July 2023

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Grid-based methods for chemistry simulations on a quantum computer.
Hans Hon Sang Chan, Richard Meister, Tyson Jones, David P Tew, Simon C Benjamin

Sci Adv· March 2023

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Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states.
Hans Hon Sang Chan, Nathan Fitzpatrick, Javier Segarra-Martí, Michael J Bearpark, David P Tew

Phys Chem Chem Phys· December 2021

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Basis set extrapolation in pair natural orbital theories.
Kesha Sorathia, David P Tew

J Chem Phys· November 2020

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The rotational spectrum of HS⋯HI and an investigation by ab initio calculations of the origins of the observed doubling of rotational transitions in both HS⋯HI and HS⋯F.
Andrew P Suckley, David P Tew, Anthony C Legon

J Chem Phys· November 2020

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Hydrogen-Atom Tunneling in Metaphosphorous Acid.
Weiyu Qian, Xianxu Chu, Chao Song, Zhuang Wu, Mengqi Jiao, David P Tew

Chemistry· July 2020

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Hydrogen-Atom Tunneling in Metaphosphorous Acid.
Weiyu Qian, Xianxu Chu, Chao Song, Zhuang Wu, Mengqi Jiao, David P Tew

Chemistry· July 2020

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Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis-trans isomerization of HOPO.
Sebastian Erfort, Martin Tschöpe, Guntram Rauhut, Xiaoqing Zeng, David P Tew

J Chem Phys· May 2020

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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.
Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, Michael Diedenhofen, Marius S Frank, David P Tew

J Chem Phys· May 2020

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Principal Domains in Local Correlation Theory.
David P Tew

J Chem Theory Comput· December 2019

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Zero-point energy and tunnelling: general discussion.
Stuart C Althorpe, Antonios M Alvertis, William Barford, Raz L Benson, Irene Burghardt, David P Tew

Faraday Discuss· December 2019

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Efficient and accurate description of adsorption in zeolites.
Jiří Klimeš, David P Tew

J Chem Phys· December 2019

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E
Experimental and computational studies of Criegee intermediate reactions with NH and CHNH.
Rabi Chhantyal-Pun, Robin J Shannon, David P Tew, Rebecca L Caravan, Marta Duchi

Phys Chem Chem Phys· July 2019

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Anharmonic excited state frequencies of para-difluorobenzene, toluene and catechol using analytic RI-CC2 second derivatives.
David P Tew, Christof Hättig, Nora K Graf

Phys Chem Chem Phys· July 2019

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Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins.
Giovanni Li Manni, Daniel Kats, David P Tew, Ali Alavi

J Chem Theory Comput· March 2019

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