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Communication: Conical intersections using constrained density functional theory–configuration interaction
Free accessAmerican Institute of Physics | 2010| -
Constrained Density-Functional Theory--Configuration Interaction.
Constrained DFT--Configuration Interaction.
CDFT-CIFree accessDSpace@MIT | 2012| -
Analytic energy gradients for constrained DFT-configuration interaction
American Institute of Physics | 2014| -
Constrained density functional theory based configuration interaction improves the prediction of reaction barrier heights
National licenceAmerican Institute of Physics | 2009| -
Analytic energy gradients for constrained DFT-configuration interaction
Free accessDSpace@MIT | 2014| -
An “optimal” spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics
National licenceAmerican Institute of Physics | 2009| -
The diabatic picture of electron transfer, reaction barriers and molecular dynamics
Free accessDSpace@MIT | 2010| -
Constrained density functional theory based configuration interaction improves the prediction of reaction barrier heights
Online Contents | 2009|Contributors: Kaduk, Benjamin -
An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics
Online Contents | 2009|Contributors: Kaduk, Benjamin -
The Diabatic Picture of Electron Transfer, Reaction Barriers, and Molecular Dynamics
Online Contents | 2010|Contributors: Kaduk, Benjamin -
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Taylor & Francis Verlag | 2015| -
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
British Library Online Contents | 2015| -
Software for the frontiers of quantum chemistry:An overview of developments in the Q-Chem 5 package
Free accessBASE | 2021| -
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Free accessAmerican Institute of Physics | 2021|
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