Simple Models for Difficult Electronic Excitations
Barca, Giuseppe M. J, Gilbert, Andrew T. B, Gill, Peter M. W
Published in Journal of chemical theory and computation (13.03.2018)
Published in Journal of chemical theory and computation (13.03.2018)
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Journal Article
Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)
Gilbert, Andrew T. B, Besley, Nicholas A, Gill, Peter M. W
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.2008)
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Journal Article
Excitation Number: Characterizing Multiply Excited States
Barca, Giuseppe M. J, Gilbert, Andrew T. B, Gill, Peter M. W
Published in Journal of chemical theory and computation (09.01.2018)
Published in Journal of chemical theory and computation (09.01.2018)
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Journal Article
Self-consistent-field calculations of core excited states
Besley, Nicholas A, Gilbert, Andrew T B, Gill, Peter M W
Published in The Journal of chemical physics (28.03.2009)
Published in The Journal of chemical physics (28.03.2009)
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Journal Article
Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals
Chan, Bun, Gilbert, Andrew T. B, Gill, Peter M. W, Radom, Leo
Published in Journal of chemical theory and computation (09.09.2014)
Published in Journal of chemical theory and computation (09.09.2014)
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Journal Article
A hierarchical distance sampling model to estimate abundance and covariate associations of species and communities
Sollmann, Rahel, Gardner, Beth, Williams, Kathryn A., Gilbert, Andrew T., Veit, Richard R., O'Hara, Robert B.
Published in Methods in ecology and evolution (01.05.2016)
Published in Methods in ecology and evolution (01.05.2016)
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Journal Article
Efficient Method for Calculating Effective Core Potential Integrals
McKenzie, Simon C, Epifanovsky, Evgeny, Barca, Giuseppe M. J, Gilbert, Andrew T. B, Gill, Peter M. W
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.03.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.03.2018)
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Journal Article
Mixed Ramp–Gaussian Basis Sets
McKemmish, Laura K, Gilbert, Andrew T. B, Gill, Peter M. W
Published in Journal of chemical theory and computation (14.10.2014)
Published in Journal of chemical theory and computation (14.10.2014)
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Journal Article
Accurate Electron Densities at Nuclei Using Small Ramp-Gaussian Basis Sets
McKemmish, Laura K, Gilbert, Andrew T. B
Published in Journal of chemical theory and computation (11.08.2015)
Published in Journal of chemical theory and computation (11.08.2015)
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Journal Article
Effective fragment potential method in Q-CHEM: A guide for users and developers
Ghosh, Debashree, Kosenkov, Dmytro, Vanovschi, Vitalii, Flick, Joanna, Kaliman, Ilya, Shao, Yihan, Gilbert, Andrew T.B., Krylov, Anna I., Slipchenko, Lyudmila V.
Published in Journal of computational chemistry (05.05.2013)
Published in Journal of computational chemistry (05.05.2013)
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Journal Article
MP2[V] – A Simple Approximation to Second-Order Møller–Plesset Perturbation Theory
Deng, Jia, Gilbert, Andrew T. B, Gill, Peter M. W
Published in Journal of chemical theory and computation (14.04.2015)
Published in Journal of chemical theory and computation (14.04.2015)
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Journal Article
Distribution patterns of wintering sea ducks in relation to the North Atlantic Oscillation and local environmental characteristics
Zipkin, Elise F, Gardner, Beth, Gilbert, Andrew T, O'Connell, Allan F. Jr, Royle, J. Andrew, Silverman, Emily D
Published in Oecologia (01.08.2010)
Published in Oecologia (01.08.2010)
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Journal Article
Density functional triple jumping
Deng, Jia, Gilbert, Andrew T. B, Gill, Peter M. W
Published in Physical chemistry chemical physics : PCCP (28.09.2010)
Published in Physical chemistry chemical physics : PCCP (28.09.2010)
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Journal Article
Resolutions of the Coulomb Operator: IV. The Spherical Bessel Quasi-Resolution
Limpanuparb, Taweetham, Gilbert, Andrew T. B, Gill, Peter M. W
Published in Journal of chemical theory and computation (12.04.2011)
Published in Journal of chemical theory and computation (12.04.2011)
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Journal Article
Approaching the Hartree-Fock limit by perturbative methods
Deng, Jia, Gilbert, Andrew T B, Gill, Peter M W
Published in The Journal of chemical physics (21.06.2009)
Published in The Journal of chemical physics (21.06.2009)
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Journal Article
Avoiding Negligible Shell Pairs and Quartets in Electronic Structure Calculations
Black, Ellena K. G., Gilbert, Andrew T. B., McKenzie, Simon C., Gill, Peter M. W.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.01.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.01.2023)
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Journal Article
Introduction to the Peter M. W. Gill special issue
Head-Gordon, Martin, Gilbert, Andrew T. B., Loos, Pierre-François, Radom, Leo
Published in Molecular physics (19.05.2023)
Published in Molecular physics (19.05.2023)
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Journal Article