Zobrazeno 1 - 10
of 186
pro vyhledávání: '"Koskelo J"'
By introducing electron screening in the extended Koopmans' theorem we correctly describe the band gap opening in weakly as well as strongly correlated systems. We show this by applying our method to bulk LiH, Si, and paramagnetic as well as antiferr
Externí odkaz:
http://arxiv.org/abs/2209.00933
In this work we get insight into the impact of reduced density matrix functionals on the quality of removal/addition energies obtained using the Extended Koopmans' Theorem (EKT). Within reduced density matrix functional theory (RDMFT) the EKT approac
Externí odkaz:
http://arxiv.org/abs/2202.04946
The Extended Koopman's Theorem (EKT) provides a straightforward way to compute charged excitations from any level of theory. In this work we make the link with the many-body effective energy theory (MEET) that we derived to calculate the spectral fun
Externí odkaz:
http://arxiv.org/abs/2108.06534
Photoemission spectrum in paramagnetic FeO under pressure: towards an \textit{ab-initio} description
Publikováno v:
Phys. Rev. Research 3, 013172 (2021)
In this work we provide an exhaustive study of the photemission spectrum of paramagnetic FeO under pressure using a refined version of our recently derived many-body effective energy theory (MEET). We show that, within a nonmagnetic description of th
Externí odkaz:
http://arxiv.org/abs/2002.11198
Publikováno v:
Phys. Rev. B 93, 165204 (2016)
We present a comprehensive study of the electronic, magnetic, and optical properties of CuGa$_{1-x}$Fe$_x$S$_2$, as a promising candidate for intermediate-band (IB) solar cells. We use hybrid exchange-correlation functional within the density functio
Externí odkaz:
http://arxiv.org/abs/1604.02004
Autor:
Koskelo J; Unit of Research and Development, A-Clinic Foundation, Helsinki, Finland., Lehmusaho A; Institute of Clinical Medicine, University of Eastern Finland, Kuopio, Finland. Electronic address: aleleh@uef.fi., Laitinen TP; Institute of Clinical Medicine, University of Eastern Finland, Kuopio, Finland; Department of Clinical Physiology and Nuclear Medicine, Kuopio University Hospital, Finland., Hartikainen JEK; Institute of Clinical Medicine, University of Eastern Finland, Kuopio, Finland; Heart Center, Kuopio University Hospital, Finland., Lahtinen TMM; Finnish Defence Forces, Centre for Military Medicine, Rovaniemi, Finland., Leino TK; National Defence University, Helsinki, Finland; Air Force Command Finland, Jyväskylä, Finland., Huttunen K; Research Unit of Logopedics, University of Oulu, Finland; Department of Otorhinolaryngology, Head and Neck Surgery, University Hospital of Oulu, Finland; Medical Research Center Oulu, Finland.
Publikováno v:
Applied ergonomics [Appl Ergon] 2024 Nov; Vol. 121, pp. 104370. Date of Electronic Publication: 2024 Aug 25.
Akademický článek
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Autor:
Koskelo, J., Juurinen, I., Ruotsalainen, K. O., McGrath, M. J., Kuo, I-F., Lehtola, S., Galambosi, S., Hämäläinen, K., Huotari, S., Hakala, M.
Publikováno v:
Journal of Chemical Physics; 12/282014, Vol. 141 Issue 24, p1-6, 6p, 1 Diagram, 1 Chart, 4 Graphs
Autor:
Di Sabatino S; Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, Toulouse, France.; Laboratoire de Physique Théorique, Université de Toulouse, CNRS, UPS, Toulouse, France.; European Theoretical Spectroscopy Facility (ETSF), Toulouse, France., Koskelo J; Laboratoire de Physique Théorique, Université de Toulouse, CNRS, UPS, Toulouse, France.; European Theoretical Spectroscopy Facility (ETSF), Toulouse, France., Prodhon J; Laboratoire de Physique Théorique, Université de Toulouse, CNRS, UPS, Toulouse, France., Berger JA; Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, Toulouse, France.; European Theoretical Spectroscopy Facility (ETSF), Toulouse, France., Caffarel M; Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, Toulouse, France., Romaniello P; Laboratoire de Physique Théorique, Université de Toulouse, CNRS, UPS, Toulouse, France.; European Theoretical Spectroscopy Facility (ETSF), Toulouse, France.
Publikováno v:
Frontiers in chemistry [Front Chem] 2021 Oct 08; Vol. 9, pp. 746735. Date of Electronic Publication: 2021 Oct 08 (Print Publication: 2021).
Akademický článek
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