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20202025
most citedeT 1.0: an open source electronic structure program with emphasis on coupled cluster and multilevel methods

145 citations · 225 across the 9 of their papers we have counts for

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physics.chem-ph2023★ 1 cited

Understanding X-ray absorption in liquid water: triple excitations in multilevel coupled cluster theory

Sarai Dery Folkestad, Alexander C. Paul, Regina Paul +4

We present the first successful application of the coupled cluster approach to simulate the X-ray absorption (XA) spectrum of liquid water. The system size limitations of standard…