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List of works by Sebastian P Sitkiewicz

A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities

scientific article published on 22 May 2020

Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, Y = Cl, Br, and I): molecules of interest in the Earth's atmosphere

scientific article published on 01 December 2018

Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth's atmosphere.

scientific article published on December 2016

Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes

scientific article published on 31 May 2019

How Reliable Are Modern Density Functional Approximations to Simulate Vibrational Spectroscopies?

scientific article published in 2022

Partition of optical properties into orbital contributions

scientific article published on 01 July 2019

Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines

scientific article published on 17 July 2020

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