نتایج جستجو برای: xc
تعداد نتایج: 1429 فیلتر نتایج به سال:
We investigate the YbMn6Ge6−xSnx alloys (4.00 ≤ x 5.55) by means of specific heat measurements in temperature range 1.9 to 200 K. For near ∼ 4.0, Sommerfeld coefficient γ is close that a Lu-based counterpart (γ 40 mJ.mole−1.K−2). The increases upon Sn for Ge substitution, enters heavy fermion regime and peaks 210 mJ.mole−1.K−2) vicinity Yb magnetic instability (xc 5.23), before diminishing furt...
We investigate the YbMn6Ge6−xSnx alloys (4.00 ≤ x 5.55) by means of specific heat measurements in temperature range 1.9 to 200 K. For near ∼ 4.0, Sommerfeld coefficient γ is close that a Lu-based counterpart (γ 40 mJ.mole−1.K−2). The increases upon Sn for Ge substitution, enters heavy fermion regime and peaks 210 mJ.mole−1.K−2) vicinity Yb magnetic instability (xc 5.23), before diminishing furt...
We report a computational study via time-dependent density-functional theory (TDDFT) methods of the photo-absorption spectrum an atomically precise monolayer-protected cluster (MPC), Ag24Au(DMBT)18 single negative anion, where DMBT is 2,4-dimethylbenzenethiolate ligand. The use efficient simulation algorithms, i.e., complex polarizability polTDDFT approach and hybrid-diagonal approximation, all...
We report on the discovery of a new kind of thermal pulse in intermediate mass AGB stars. Deep dredge-up during normal thermal pulses on the AGB leads to the formation of a long, unburnt tail to the helium profile. Eventually the tail ignites under partially degenerate conditions producing a strong shell flash with very deep subsequent dredge-up. The carbon content of the intershell convective ...
Modern density functional theory (DFT) calculations employ the Kohn-Sham system of noninteracting electrons as a reference, with all complications buried in the exchange-correlation energy (E(XC)). The adiabatic connection formula gives an exact expression for E(XC). We consider DFT calculations that instead employ a reference of strictly correlated electrons. We define a "decorrelation energy"...
Spin-currents and non-Abelian gauge potentials in electronic systems can be treated by spin-current densityfunctional theory, whose main input is the exchange-correlation xc energy expressed as a functional of spin-currents. Constructing a functional of spin-currents that is invariant under U 1 SU 2 transformations is a long-standing challenge. We solve the problem by expressing the energy as a...
Effects of the kampo medicine yokukansan on gene expression of the cystine/glutamate antiporter system Xc-, which protects against glutamate-induced cytotoxicity, were examined in Pheochromocytoma cells (PC12 cells). Yokukansan inhibited glutamate-induced PC12 cell death. Similar cytoprotective effects were found in Uncaria hook. Experiments to clarify the active compounds revealed that geissos...
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