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Frederick R Manby

8PUBLICATIONS

26CO-AUTHORS

Theoretical quantum chemistryStatistical mechanics in chemistryThermodynamics and statistical physics

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Publications (8)

Sort by Publication Date:

|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

Frequent Collaborators

4 joint publications

Thomas F Miller

3 joint publications

Peter J Knowles

2 joint publications

Marat Sibaev

2 joint publications

Iakov Polyak

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