Frederick R Manby
8PUBLICATIONS
26CO-AUTHORS
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Publications (8)
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|Dec 02, 2021
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy.Anders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao
|Apr 03, 2021
Reliable transition properties from excited-state mean-field calculations.Susannah Bourne Worster, Oliver Feighan, Frederick R Manby
|Dec 09, 2020
Coupling electrons and vibrations in molecular quantum chemistry.Thomas Dresselhaus, Callum B A Bungey, Peter J Knowles
|Oct 02, 2020
Molecular second-quantized Hamiltonian: Electron correlation and non-adiabatic coupling treated on an equal footing.Marat Sibaev, Iakov Polyak, Frederick R Manby
|Apr 17, 2020
The Molpro quantum chemistry package.Hans-Joachim Werner, Peter J Knowles, Frederick R Manby
|Oct 15, 2018
Even-handed subsystem selection in projection-based embedding.Matthew Welborn, Frederick R Manby, Thomas F Miller
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Frequent Collaborators
4 joint publications
Thomas F Miller
3 joint publications
Peter J Knowles
2 joint publications
Marat Sibaev
2 joint publications
Iakov Polyak
1 joint publications
Hans-Joachim Werner
1 joint publications
Joshua A Black
1 joint publications
Klaus Doll
1 joint publications
Andreas Heßelmann
1 joint publications
Matthew Welborn
1 joint publications
Andreas Köhn
