David P Tew

8PUBLICATIONS
44CO-AUTHORS
Radiation and matterThermodynamics and statistical physicsFormal methods for softwareTheoretical quantum chemistryComputational chemistry
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Publications (8)

|Dec 02, 2020
The rotational spectrum of H2S⋯HI and an investigation by ab initio calculations of the origins of the observed doubling of rotational transitions in both H2S⋯HI and H2S⋯F2.

Andrew P Suckley, David P Tew, Anthony C Legon

|Nov 10, 2020
Basis set extrapolation in pair natural orbital theories.

Kesha Sorathia, David P Tew

|May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.

Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani

|May 10, 2020
Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis-trans isomerization of HOPO.

Sebastian Erfort, Martin Tschöpe, Guntram Rauhut

|Dec 23, 2019
Efficient and accurate description of adsorption in zeolites.

Jiří Klimeš, David P Tew

|Oct 22, 2018
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies.

Manoj K Kesharwani, Nitai Sylvetsky, Andreas Köhn

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Frequent Collaborators

2 joint publications

Anthony C Legon

1 joint publications

Chris Medcraft

1 joint publications

Eva Gougoula

1 joint publications

Dror M Bittner