Researcher interests: Development of time-dependent density functional methods for studying electron dynamics in molecules and clusters, such as excitation energies, electron transmission probabilities through thin films and layers. Quantum Monte Carlo methods for high precision first principle computation of the electronic structure of molecules and molecular properties, such as spectroscopic constants, heats of formation.
FACULTY / SCHOOL: Faculty of Science
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Selected Publications

Roi Baer, Epifanovsky Evgeny, Gan Zhengting, Shao Yihan
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package (2014)| Taylor and Francis online| Read more
Roi Baer, Helen Eisenberg, Leeor Kronik, Tamar Stein
Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method (2010)| APS Physics| Read more
Roi Baer, Leeor Kronik, Tamar Stein
Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory (2009)| ACS publication| Read more

Contact for more information:

Matt Zarek
SCOUTING, IDEATION, AND TECHNOLOGY EVALUATION
+972-2-6586686
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