Results 251 to 260 of about 116,934 (311)

Étendue and radiance conservation in transformation optics establish strict analytical bounds on field enhancement. [PDF]

Sci Rep
Sadeghi MM, Sarısaman M.
europepmc   +1 more source

Tetradecanuclear {Ni9Ln5} Clusters Featuring Encapsulated {Ln5} Trigonal Bipyramids: Modular 3d‐4f Architectures With Broad‐Range Magnetocaloric Response

Chemistry – A European Journal, EarlyView.
The use of 2‐aminoisobutyric acid in 3d–4f chemistry affords three {Ni₉Ln5} clusters, with the Gd analogue exhibiting an unusually broad magnetocaloric effect across an extended temperature range. ABSTRACT The solvothermal reaction between Ni(HCOO)2.2H2O, 2‐aminoisobutyric acid (aibH), Ln(OAc)3·4H2O (Ln = Gd, Y, Dy) and NEt3 in MeOH/MeCN affords the ...
Thomais G. Tziotzi, Evangelia G. Asmargiannaki, Ben Thamm, Scott J. Dalgarno, Emmanouil K. Charkiolakis, Marc Ubach I. Cervera, David Gracia, Marco Evangelisti, Constantinos J. Milios   +8 more
wiley   +1 more source

Cavity QED beyond the Jaynes-Cummings model. [PDF]

Opt Quantum Electron
Al Ghamdi A, Jose G, Beige A.
europepmc   +1 more source

The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise, Saleta Fernández, Kit Joll, Mikhail V. Vaganov, Fátima García, Christiane R. Timmel, Diego Peña, Arzhang Ardavan   +7 more
wiley   +1 more source

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change. [PDF]

J Chem Theory Comput
Surjuse KA, Valeev EF.
europepmc   +1 more source

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source

Is the Matrix Completion of Reduced Density Matrices Unique? [PDF]

J Phys Chem Lett
Massaccesi GE, Oña OB, Lain L, Torre A, Peralta JE, Alcoba DR, Scuseria GE.   +6 more
europepmc   +1 more source

Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods

Contributions to Plasma Physics, EarlyView.
ABSTRACT We benchmark nonequilibrium Green's function (NEGF) approaches for interaction quenches in the half‐filled Fermi–Hubbard model in one and two dimensions. We compare fully self‐consistent two‐time Kadanoff–Baym equations (KBE), the generalized Kadanoff–Baym ansatz (GKBA), and the recently developed NEGF‐based quantum fluctuations approach (NEGF‐
Jan‐Philip Joost, Christopher Makait, Alexander Osterkorn, Erik Schroedter   +3 more
wiley   +1 more source

A universal framework for the quantum simulation of Yang-Mills theory. [PDF]

Commun Phys
Halimeh JC, Hanada M, Matsuura S, Nori F, Rinaldi E, Schäfer A.   +5 more
europepmc   +1 more source

The Virial Expansion of the Hydrogen Equation of State in Comparison to PIMC Simulations: The Quasiparticle Concept, IPD, and Ionization Degree

Contributions to Plasma Physics, EarlyView.
ABSTRACT The properties of plasmas in the low‐density limit are described by virial expansions. Analytical expressions are known for the lowest virial coefficients from Green's function approaches. Recently, accurate path‐integral Monte Carlo (PIMC) simulations were performed for the hydrogen plasma at low densities by Filinov and Bonitz (Phys. Rev.
Gerd Röpke, Chengliang Lin, W. Ebeling, H. Reinholz   +3 more
wiley   +1 more source