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Journal of Chemical Theory and Computation|November 18, 2015
Complex absorbing potentials with Voronoi isosurfaces wrapping perfectly around moleculesThomas Sommerfeld, Masahiro Ehara
The Journal of Chemical Physics|January 24, 2015
Short-range stabilizing potential for computing energies and lifetimes of temporary anions with extrapolation methodsThomas Sommerfeld, Masahiro Ehara
The Journal of Physical Chemistry. A|February 16, 2016
Low-Lying π* Resonances of Standard and Rare DNA and RNA Bases Studied by the Projected CAP/SAC-CI MethodYuki Kanazawa, Masahiro Ehara, Thomas Sommerfeld
Journal of Computational Chemistry|July 22, 2015
Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance statesMasahiro Ehara, Ryoichi Fukuda, Thomas Sommerfeld
The Journal of Physical Chemistry. A|February 17, 2018
Temporary Anion States of Ethene Interacting with Single Molecules of Methane, Ethane, and WaterThomas Sommerfeld, Joshua B Melugin, Masahiro Ehara
Journal of Chemical Theory and Computation|April 21, 2017
Resonance Energies and Lifetimes from the Analytic Continuation of the Coupling Constant Method: Robust Algorithms and a Critical AnalysisThomas Sommerfeld, Joshua B Melugin, Prakash Hamal, et al.
Journal of Chemical Theory and Computation|February 28, 2020
Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot ApplicationsQuan Manh Phung, Yuki Komori, Takeshi Yanai, et al.
The Journal of Physical Chemistry. A|April 27, 2021
Lifetimes of Be<sub>3</sub><sup>2-</sup> and Mg<sub>3</sub><sup>2-</sup> Cluster DianionsJeremy U Davis, Quan Manh Phung, Takeshi Yanai, et al.
Physical Chemistry Chemical Physics : PCCP|October 7, 2020
Resonant states in cyanogen NCCNPamir Nag, Roman Čurík, Michal Tarana, et al.
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