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Peter J Knowles

9PUBLICATIONS

21CO-AUTHORS

Mathematical aspects of general relativityTheoretical quantum chemistryStatistical mechanics in chemistryRadiation and matterIntegrable systems (classical and quantum)

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Publications (9)

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|Jan 09, 2022

Perturbation-adapted perturbation theory.

Peter J Knowles

|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

|Feb 24, 2020

MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules.

David A Kreplin, Peter J Knowles, Hans-Joachim Werner

|May 24, 2019

Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence.

David A Kreplin, Peter J Knowles, Hans-Joachim Werner

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Frequent Collaborators

3 joint publications

Iakov Polyak

3 joint publications

David A Kreplin

3 joint publications

Hans-Joachim Werner

3 joint publications

Frederick R Manby

2 joint publications

Marat Sibaev

1 joint publications

So Hirata

1 joint publications

Gareth W Richings

1 joint publications

Scott Habershon

1 joint publications

Joshua A Black

1 joint publications

Klaus Doll

Frequent Collaborators

3 joint publications

Iakov Polyak

3 joint publications

David A Kreplin

3 joint publications

Hans-Joachim Werner

3 joint publications

Frederick R Manby

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