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1 . Academic Journal
Toward the Next Generation of Density Functionals: Escaping the Zero-Sum Game by Using the Exact-Exchange Energy Density.
저자
by
Kaupp, Martin
;
Wodyński, Artur
;
Arbuznikov, Alexei V.
;
Fürst, Susanne
;
Schattenberg, Caspar J.
.
소스
Accounts of Chemical Research; 7/2/2024, Vol. 57 Issue 13, p1815-1826, 12p
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7 . Report
Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities
저자
by
Schattenberg, Caspar J.
;
Wodyński, Artur
;
Åström, Hugo
;
Sundholm, Dage
;
Kaupp, Martin
, et al.
소스
Open Access (Arxiv)
Find it @ DONGA
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7 . Academic Journal
Strong-correlation density functionals made simple.
저자
by
Wodyński, Artur
;
Arbuznikov, Alexei V.
;
Kaupp, Martin
.
소스
Journal of Chemical Physics
. 6/28/2023, Vol. 158 Issue 24, p1-14. 14p.
Full Text (AIP)
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5 . Academic Journal
Investigation of Isolated IrF
5
−
, IrF
6
−
Anions and M[IrF
6
] (M=Na, K, Rb, Cs) Ion Pairs by Matrix‐Isolation Spectroscopy and Relativistic Quantum‐Chemical Calculations.
저자
by
Lu, Yan
;
Wodyński, Artur
;
Reimann, Marc
;
Medel, Robert
;
Kaupp, Martin
, et al.
소스
Chemistry - A European Journal
. 6/17/2024, Vol. 30 Issue 34, p1-8. 8p.
Full Text (Wiley)
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7 . Academic Journal
Structure and Photophysics of N‐Tolanyl‐phenochalcogenazines and their Radical Cations.
저자
by
Mentzel, Paul
;
Holzapfel, Marco
;
Schmiedel, Alexander
;
Günther, Johanna
;
Michel, Maximilian
, et al.
소스
Chemistry - A European Journal
. 4/2/2024, Vol. 30 Issue 19, p1-10. 10p.
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7 . Academic Journal
Spin-Symmetry Breaking and Hyperfine Couplings in Transition-Metal Complexes Revisited Using Density Functionals Based on the Exact-Exchange Energy Density.
저자
by
Wodyński, Artur
;
Lauw, Bryan
;
Reimann, Marc
;
Kaupp, Martin
.
소스
Journal of Chemical Theory & Computation; 3/12/2024, Vol. 20 Issue 5, p2033-2048, 16p
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6 . Academic Journal
Local hybrid functionals augmented by a strong-correlation model.
저자
by
Wodyński, Artur
;
Arbuznikov, Alexei V.
;
Kaupp, Martin
.
소스
Journal of Chemical Physics
. 10/14/2021, Vol. 155 Issue 14, p1-17. 17p.
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5 . Academic Journal
Range-Separated Local Hybrid Functionals with Small Fractional-Charge and Fractional-Spin Errors: Escaping the Zero-Sum Game of DFT Functionals.
저자
by
Fürst, Susanne
;
Kaupp, Martin
;
Wodyński, Artur
.
소스
Journal of Chemical Theory & Computation; 12/12/2023, Vol. 19 Issue 23, p8639-8653, 15p
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5 . Periodical
TURBOMOLE: Today and Tomorrow
저자
by
Franzke, Yannick J.
;
Holzer, Christof
;
Andersen, Josefine H.
;
Begušić, Tomislav
;
Bruder, Florian
, et al.
소스
Journal of Chemical Theory and Computation; October 2023, Vol. 19 Issue: 20 p6859-6890, 32p
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7 . Academic Journal
Excited states and spin–orbit coupling in chalcogen substituted perylene diimides and their radical anions.
저자
by
Mentzel, Paul
;
Holzapfel, Marco
;
Schmiedel, Alexander
;
Krummenacher, Ivo
;
Braunschweig, Holger
, et al.
소스
Physical Chemistry Chemical Physics (PCCP); 11/14/2022, Vol. 24 Issue 42, p26254-26268, 15p
Full Text (RSC Gold)
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