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)

|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