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The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic field.
J Chem Phys. 2024 Mar 7;160(9):094112. doi: 10.1063/5.0189350.
J Chem Phys. 2024.
PMID: 38441261
Magnetic optical rotation from real-time simulations in finite magnetic fields.
Ofstad BS, Wibowo-Teale M, Kristiansen HE, Aurbakken E, Kitsaras MP, Schøyen ØS, Hauge E, Irons TJP, Kvaal S, Stopkowicz S, Wibowo-Teale AM, Pedersen TB.
Ofstad BS, et al. Among authors: kitsaras mp.
J Chem Phys. 2023 Nov 28;159(20):204109. doi: 10.1063/5.0171927.
J Chem Phys. 2023.
PMID: 38018753
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Spin contamination in MP2 and CC2, a surprising issue.
Kitsaras MP, Stopkowicz S.
Kitsaras MP, et al.
J Chem Phys. 2021 Apr 7;154(13):131101. doi: 10.1063/5.0044362.
J Chem Phys. 2021.
PMID: 33832254
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Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides.
Li L, Sakr AK, Schlöder T, Klein S, Beckers H, Kitsaras MP, Snelling HV, Young NA, Andrae D, Riedel S.
Li L, et al. Among authors: kitsaras mp.
Angew Chem Int Ed Engl. 2021 Mar 15;60(12):6391-6394. doi: 10.1002/anie.202015501. Epub 2021 Jan 28.
Angew Chem Int Ed Engl. 2021.
PMID: 33300240
Free PMC article.
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