نتایج جستجو برای: exchange andcorrelation energy
تعداد نتایج: 838947 فیلتر نتایج به سال:
The binding energy of nuclear matter including exchange and pionic effects is calculated in a quark-meson coupling model with massive constituent quarks. As in the case with elementary nucleons in QHD, exchange effects are repulsive. However, the coupling of the mesons directly to the quarks in the nucleons introduces a new effect on the exchange energies that provides an extra repulsive contri...
The stable magnetization configurations of a ferromagnet on a quasiperiodic tiling have been derived theoretically. The magnetization configuration is investigated as a function of the ratio of the exchange to the dipolar energy. The exchange coupling is assumed to decrease exponentially with the distance between magnetic moments. It is demonstrated that for a weak exchange interaction the new ...
Quantum Monte Carlo analysis of exchange and correlation in the strongly inhomogeneous electron gas.
We use the variational quantum Monte Carlo method to calculate the density-functional exchange-correlation hole n(xc), the exchange-correlation energy density e(xc), and the total exchange-correlation energy E(xc) of several strongly inhomogeneous electron gas systems. We compare our results with the local density approximation and the generalized gradient approximation. It is found that the no...
Molecular machines are ubiquitous in nature and function away from equilibrium by consuming fuels to produce appropriate work. Chemists have recently excelled at mimicking the fantastic job performed natural molecular with synthetic systems soluble organic solvents. In efforts toward analogous working water, we show that guest molecules can be exchanged macrocycle cucurbit[7]uril involving kine...
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