Publication by Q-Chem Developers: "Feshbach-Fano Approach for Calculation of Auger Decay Rates Using Equation-of-Motion Coupled-Cluster Wave Functions: Theory and Implementation" |
| November 15, 2020 |
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Congratulations to Wojciech Skomorowski and Anna I. Krylov on their new theory for calculating Auger decay rates using equation-of-motion coupled-cluster wave-functions, "Feshbach-Fano approach… Read More |
Yuezhi Mao - Winner of the 2020 Michael Wormit Award |
| July 1, 2020 |
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Congratulations to the 2020 Michael Wormit Award winner, Yuezhi Mao. Dr. Mao is recognized for his unparalleled work on Q-Chem's infrastructure, his commitment to code… Read More |
Pavel Pokhilko - Winner of the 2020 Michael Wormit Award |
| July 1, 2020 |
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Congratulations to the 2020 Michael Wormit Award winner, Pavel Pokhilko. Dr. Pokhilko has made substantial contributions to the base Q-Chem code and has been actively… Read More |
Introducing Q-Chem 5.3! |
| June 18, 2020 |
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We are pleased to announced our latest release: Q-Chem 5.3! Its improved performance means that your computational work will run… Read More |