P. Bultinck

Making 2-electron response reduced density matrices N-representable

C. Lanssens, P.W. Ayers, D. Van Neck, S. De Baerdemacker, K. Gunst, P. Bultinck

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Poster

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International Summer School in Electronic Structure Theory: Electron Correlation in Physics and Chemistry

Aussois, France

Sunday, 18 June, 2017 to Saturday, 1 July, 2017

Partitioning of a molecular Fukui matrix over the atoms

Making 2-electron response reduced density matrices N-representable

C. Lanssens, P.W. Ayers, P. Bultinck, D. Van Neck

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Poster

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Summer School Modern Wavefunction Methods in Electronic Structure Theory

Gelsenkirchen, Germany

Monday, 3 October, 2016 to Saturday, 8 October, 2016

Rapid estimation of the pKa with atoms-in-molecules

When two is better than one: the seniority scheme as a new tool to build wave functions

S. De Baerdemacker, P. Claeys, W. Poelmans, D. Van Neck, P. Bultinck, M. Van Raemdonck, P.W. Ayers, P.A. Limacher, P.A. Johnson, K. Boguslawski, P. Tecmer

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Talk

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QCB12

Leuven, Belgium

Tuesday, 16 February, 2016

Hirshfeld-I charges: from molecules to solids: implementation, pitfalls and applications

D.E.P. Vanpoucke, S. Cottenier, T. Verstraelen, V. Van Speybroeck, S. Van Damme, P. Bultinck, I. Van Driessche

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Poster

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Quantum Chemistry in Belgium

Namur, Belgium

Thursday, 23 January, 2014

Density functional theory study of La2Ce2O7: Disordered fluorite versus pyrochlore structure (vol 84, 054110, 2011)

Doping of CeO2 as a tunable buffer layer for coated superconductors: A DFT study of mechanical and electronic properties

D.E.P. Vanpoucke, S. Cottenier, P. Bultinck, V. Van Speybroeck, I. Van Driessche

63

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Talk

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39th International Conference and Exposition on Advanced Ceramics and Composites

Daytona Beach, Florida, USA

Sunday, 25 January, 2015 to Friday, 30 January, 2015

Model Wavefunction Forms to Describe Strong Correlation in Quantum Chemistry

P.A. Johnson

Sun, 28/09/2014

McMaster University, Hamilton, Ontario, Canada

http://hdl.handle.net/1854/LU-5752763

Supervisors

Prof. Dr. Paul W. Ayers, Prof. Dr. Dimitri Van Neck, Prof. Dr. Patrick Bultinck

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