نتایج جستجو برای: xc

تعداد نتایج: 1429  

Journal: :Solid State Communications 2022

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...

Journal: :Solid State Communications 2022

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...

Journal: :Journal of Chemical Physics 2021

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...

Journal: :Annals and Magazine of Natural History 1921

1998
C. A. Frost

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 ...

Journal: :The Journal of chemical physics 2009
Zhen-Fei Liu Kieron Burke

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"...

2010
Saeed H. Abedinpour G. Vignale I. V. Tokatly

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...

2014
Hitomi Kanno Zenji Kawakami Kazushige Mizoguchi Yasushi Ikarashi Yoshio Kase

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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