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Ab initio non-adiabatic molecular dynamics.
Phys Chem Chem Phys. 2013 Nov 14;15(42):18336-48. doi: 10.1039/c3cp51514a.
Phys Chem Chem Phys. 2013.
PMID: 24068257
First-order derivative couplings between excited states from adiabatic TDDFT response theory.
Ou Q, Bellchambers GD, Furche F, Subotnik JE.
Ou Q, et al. Among authors: bellchambers gd.
J Chem Phys. 2015 Feb 14;142(6):064114. doi: 10.1063/1.4906941.
J Chem Phys. 2015.
PMID: 25681894
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Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris-Foulkes method.
Meier P, Bellchambers G, Klepp J, Manby FR, Rauhut G.
Meier P, et al.
Phys Chem Chem Phys. 2013 Jul 7;15(25):10233-40. doi: 10.1039/c3cp50172h. Epub 2013 Mar 25.
Phys Chem Chem Phys. 2013.
PMID: 23525154
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An approximate density-functional method using the Harris-Foulkes functional.
Bellchambers GD, Manby FR.
Bellchambers GD, et al.
J Chem Phys. 2011 Aug 28;135(8):084105. doi: 10.1063/1.3625433.
J Chem Phys. 2011.
PMID: 21895157
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